UCSF

ZINC32151572

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 14 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 3.19 4.88 -3.28 1 2 0 23 193.29 2
Mid Mid (pH 6-8) 3.19 5.53 -31.72 2 2 1 25 194.298 2

Activity (Go SEA)

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