UCSF

ZINC27906944

Substance Information

In ZINC since Heavy atoms Benign functionality
February 21st, 2009 32 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) 5.23 14.06 -46.44 1 4 1 26 429.584 9
Mid Mid (pH 6-8) 5.23 14 -45.53 1 4 1 26 429.584 9
Mid Mid (pH 6-8) 5.23 11.68 -8.56 0 4 0 25 428.576 9

Activity (Go SEA)

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