UCSF

ZINC44651746

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 13 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) 1.64 6.04 -113.33 4 2 2 33 184.327 7
Mid Mid (pH 6-8) 1.64 4.67 -33.38 3 2 1 29 183.319 7

Activity (Go SEA)

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