UCSF

ZINC32888288

Substance Information

In ZINC since Heavy atoms Benign functionality
May 11th, 2009 33 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) 4.66 10.2 -13.61 2 6 0 76 443.547 8
Mid Mid (pH 6-8) 4.66 10.66 -39.19 3 6 1 78 444.555 8

Activity (Go SEA)

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