UCSF

ZINC36192248

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 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) 0.60 4.7 -92.44 4 4 2 52 243.395 4
Mid Mid (pH 6-8) 0.60 4.42 -42.67 3 4 1 51 242.387 4

Activity (Go SEA)

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