UCSF

ZINC00153700

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 25 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) 4.16 -0.45 -17.07 1 4 0 46 349.459 3
Mid Mid (pH 6-8) 0.42 -0.2 -34.5 2 4 1 48 350.467 3

Activity (Go SEA)

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