UCSF

ZINC32754985

Substance Information

In ZINC since Heavy atoms Benign functionality
May 9th, 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) 2.05 4.97 -6.29 2 3 0 52 241.237 3
Mid Mid (pH 6-8) 2.05 5.24 -54.32 3 3 1 54 242.245 3

Activity (Go SEA)

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