UCSF

ZINC19720137

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2008 28 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) 3.34 6.81 -51.98 3 5 1 54 378.496 4
Mid Mid (pH 6-8) 3.34 5.45 -7.53 2 5 0 50 377.488 4

Activity (Go SEA)

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