UCSF

ZINC09421896

Substance Information

In ZINC since Heavy atoms Benign functionality
August 25th, 2007 22 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) 2.32 -1.3 -17.62 0 5 0 57 315.398 0
Lo Low (pH 4.5-6) 2.32 -1.26 -36.73 1 5 1 58 316.406 0

Activity (Go SEA)

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