UCSF

ZINC34559282

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 37 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) 4.22 8.96 -19.03 1 9 0 102 506.507 8
Mid Mid (pH 6-8) 4.22 9.74 -49.5 0 9 -1 105 505.499 8

Activity (Go SEA)

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