UCSF

ZINC32610989

Substance Information

In ZINC since Heavy atoms Benign functionality
May 6th, 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) 0.62 5.11 -10.7 0 6 0 54 301.394 2
Mid Mid (pH 6-8) 0.62 7.5 -52.7 1 6 1 55 302.402 2

Activity (Go SEA)

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