UCSF

ZINC08792288

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2007 32 No

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) 3.31 -2.76 -20.18 1 7 0 81 427.46 5
Lo Low (pH 4.5-6) 3.31 -2.59 -51.4 2 7 1 83 428.468 5

Activity (Go SEA)

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