UCSF

ZINC05590262

Substance Information

In ZINC since Heavy atoms Benign functionality
February 6th, 2006 17 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) 2.88 -1.24 -8.93 2 2 0 38 220.275 1
Lo Low (pH 4.5-6) 2.88 -1.12 -25.7 3 2 1 40 221.283 1

Activity (Go SEA)

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