UCSF

ZINC42409134

Substance Information

In ZINC since Heavy atoms Benign functionality
April 28th, 2010 12 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) 1.16 6.04 -95.65 3 2 2 21 172.316 5
Mid Mid (pH 6-8) 1.16 3.94 -35.16 2 2 1 20 171.308 5

Activity (Go SEA)

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