UCSF

ZINC01736156

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 11 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) 1.10 3.13 -6.59 2 3 0 52 151.213 1
Lo Low (pH 4.5-6) 1.10 3.4 -25.64 3 3 1 53 152.221 1
Lo Low (pH 4.5-6) 1.10 -0.17 -25.9 3 3 1 53 152.221 1

Activity (Go SEA)

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