UCSF

ZINC72194614

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2012 24 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) 7.09 13.95 -6.35 0 2 0 26 324.512 11
Lo Low (pH 4.5-6) 7.09 14.3 -31.26 1 2 1 27 325.52 11

Activity (Go SEA)

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