UCSF

ZINC20756343

Substance Information

In ZINC since Heavy atoms Benign functionality
November 28th, 2008 35 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.84 6.43 -29.3 4 10 0 146 476.489 6
Hi High (pH 8-9.5) 2.84 5.1 -39.93 3 10 -1 141 475.481 6

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )