UCSF

ZINC40188546

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 28 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) 1.97 7.39 -19.12 1 7 0 76 384.48 5
Lo Low (pH 4.5-6) 1.97 7.84 -38.81 2 7 1 78 385.488 5

Activity (Go SEA)

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