UCSF

ZINC41684540

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 20 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) 1.57 3.47 -14.03 1 6 0 96 316.766 7
Hi High (pH 8-9.5) 1.57 3.64 -47.31 0 6 -1 98 315.758 7

Activity (Go SEA)

Rings

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