UCSF

ZINC36743241

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) 2.14 3.28 -39.71 2 5 -1 98 306.754 3
Lo Low (pH 4.5-6) 2.14 3.22 -9.93 3 5 0 96 307.762 3

Activity (Go SEA)

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