UCSF

ZINC32114715

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 19 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) 1.85 7.5 -82.03 3 4 2 40 268.401 8
Hi High (pH 8-9.5) 1.85 4.91 -43.66 2 4 1 38 267.393 8

Activity (Go SEA)

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