UCSF

ZINC38258583

Substance Information

In ZINC since Heavy atoms Benign functionality
January 13th, 2010 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) -1.21 0.9 -82.03 4 5 0 97 188.227 7
Lo Low (pH 4.5-6) -1.21 -1.08 -54.43 5 5 1 94 189.235 7

Activity (Go SEA)

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