UCSF

ZINC32804050

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2009 18 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) 1.75 7.67 -39.15 2 3 1 34 265.402 7
Mid Mid (pH 6-8) 1.75 5.41 -9.17 1 3 0 32 264.394 7
Mid Mid (pH 6-8) 1.93 5.1 -34.89 2 3 1 37 265.402 7

Activity (Go SEA)

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