UCSF

ZINC00464975

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 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) 4.41 8.69 -20.01 2 4 0 58 336.435 4
Mid Mid (pH 6-8) 4.54 3.8 -6.05 2 4 0 65 336.435 4

Activity (Go SEA)

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