UCSF

ZINC32778226

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) 1.44 3.65 -11.72 1 5 0 72 257.311 6
Mid Mid (pH 6-8) 1.44 3.72 -39.87 0 5 -1 75 256.303 6

Activity (Go SEA)

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