UCSF

ZINC32726701

Substance Information

In ZINC since Heavy atoms Benign functionality
May 8th, 2009 22 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) 2.16 5.88 -11.05 1 5 0 58 296.374 3
Mid Mid (pH 6-8) 2.16 6.11 -45.77 2 5 1 59 297.382 3

Activity (Go SEA)

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