UCSF

ZINC36743310

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 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) 0.32 1.4 -37.36 2 7 -1 124 291.312 3
Lo Low (pH 4.5-6) 0.32 1.02 -12.94 3 7 0 122 292.32 3

Activity (Go SEA)

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