UCSF

ZINC36986972

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 19 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) 1.93 5.81 -113.2 5 4 2 59 266.364 4
Mid Mid (pH 6-8) 1.93 3.86 -37.19 4 4 1 58 265.356 4

Activity (Go SEA)

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