UCSF

ZINC34476584

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 26 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) 3.28 10.24 -49.24 1 5 -1 82 369.466 7
Lo Low (pH 4.5-6) 3.28 8.28 -11.71 2 5 0 79 370.474 7

Activity (Go SEA)

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