UCSF

ZINC31948397

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 21 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) 3.74 7.59 -53.15 1 4 -1 69 324.809 7
Lo Low (pH 4.5-6) 3.74 6.47 -15.34 2 4 0 66 325.817 7

Activity (Go SEA)

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