UCSF

ZINC69232221

Substance Information

In ZINC since Heavy atoms Benign functionality
October 21st, 2011 30 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) 2.76 10.05 -49.84 2 6 1 63 410.538 8
Mid Mid (pH 6-8) 2.76 7.52 -14.62 1 6 0 62 409.53 8

Activity (Go SEA)

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