UCSF

ZINC32731331

Substance Information

In ZINC since Heavy atoms Benign functionality
May 8th, 2009 34 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) 3.51 7.88 -15.68 1 8 0 94 488.537 9
Mid Mid (pH 6-8) 3.51 7.94 -43.27 0 8 -1 96 487.529 9

Activity (Go SEA)

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