UCSF

ZINC36870241

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 18 No

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) 0.41 1.56 -18.05 2 5 0 76 285.394 3
Lo Low (pH 4.5-6) 0.41 2.03 -56.83 3 5 1 78 286.402 3

Activity (Go SEA)

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