UCSF

ZINC05332212

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2006 20 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) 4.21 8.49 -8.15 0 2 0 26 256.308 1
Lo Low (pH 4.5-6) 4.21 8.77 -37.3 1 2 1 27 257.316 1
Lo Low (pH 4.5-6) 4.21 9.05 -83.88 2 2 2 28 258.324 1

Activity (Go SEA)

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