UCSF

ZINC42467437

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 17 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) 1.08 1.94 -42.85 3 3 1 40 255.304 7
Mid Mid (pH 6-8) 1.08 3.82 -105.54 4 3 2 41 256.312 7

Activity (Go SEA)

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