UCSF

ZINC34675497

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2009 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) 2.54 10.39 -14.9 0 6 0 53 409.53 8
Mid Mid (pH 6-8) 2.54 12.6 -54.15 1 6 1 54 410.538 8

Activity (Go SEA)

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