UCSF

ZINC31623638

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 2009 11 No

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) 0.38 5.05 -102.68 0 4 -2 80 156.137 3
Lo Low (pH 4.5-6) 0.38 3.03 -41.3 1 4 -1 77 157.145 3

Activity (Go SEA)

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