UCSF

ZINC32090016

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2009 17 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 1.31 4.25 -124.02 4 4 2 51 238.331 6
Mid Mid (pH 6-8) 1.31 1.94 -49.27 3 4 1 49 237.323 6

Activity (Go SEA)

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