UCSF

ZINC31915020

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 29 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) 3.71 7.13 -49.11 1 7 -1 96 382.403 3
Lo Low (pH 4.5-6) 3.25 8.97 -15.31 2 7 0 93 383.411 3

Activity (Go SEA)

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