UCSF

ZINC48234672

Substance Information

In ZINC since Heavy atoms Benign functionality
September 13th, 2010 18 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) 2.05 2.7 -53.25 1 4 -1 65 261.223 4
Lo Low (pH 4.5-6) 1.60 3.25 -8.28 2 4 0 62 262.231 4

Activity (Go SEA)

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