UCSF

ZINC44627319

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 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) -1.22 6.43 -74.18 1 6 0 68 243.307 3
Mid Mid (pH 6-8) -1.22 3.98 -49.97 0 6 -1 67 242.299 3

Activity (Go SEA)

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