UCSF

ZINC34527675

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 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) 2.82 12.75 -49.7 1 5 1 57 336.452 14
Mid Mid (pH 6-8) 2.82 10.64 -9.57 0 5 0 56 335.444 14

Activity (Go SEA)

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