UCSF

ZINC01240956

Substance Information

In ZINC since Heavy atoms Benign functionality
August 13th, 2004 23 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) 3.15 11.5 -13.01 0 5 0 52 304.353 3
Mid Mid (pH 6-8) 3.15 12.02 -30.92 1 5 1 54 305.361 3

Activity (Go SEA)

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