UCSF

ZINC32088590

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2009 28 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) 3.32 6.14 -12.3 2 6 0 80 372.428 2
Ref Reference (pH 7) 3.14 8.6 -10.29 2 6 0 76 372.428 2

Activity (Go SEA)

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