UCSF

ZINC01626891

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 16 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) 0.22 7.18 -35.61 2 4 0 60 218.256 4
Hi High (pH 8-9.5) 0.22 4.95 -49.64 1 4 -1 59 217.248 4

Activity (Go SEA)

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