UCSF

ZINC32553277

Substance Information

In ZINC since Heavy atoms Benign functionality
May 3rd, 2009 15 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) 1.56 6.28 -113.22 4 2 2 32 206.333 3
Mid Mid (pH 6-8) 1.56 4.52 -41.84 3 2 1 31 205.325 3

Activity (Go SEA)

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