UCSF

ZINC32819601

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2009 24 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) 4.03 8.88 -54.8 2 3 1 51 346.516 6
Mid Mid (pH 6-8) 4.03 7.62 -11.02 1 3 0 46 345.508 6

Activity (Go SEA)

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