UCSF

ZINC60011829

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2011 13 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) 1.51 6.01 -102.44 0 4 -2 80 184.191 3
Lo Low (pH 4.5-6) 1.51 3.99 -40.94 1 4 -1 77 185.199 3
Lo Low (pH 4.5-6) 1.51 1.96 -6.33 2 4 0 75 186.207 3

Activity (Go SEA)

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