UCSF

ZINC04912989

Substance Information

In ZINC since Heavy atoms Benign functionality
January 11th, 2006 18 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) 4.23 9.85 -34.31 1 2 1 14 268.808 4
Hi High (pH 8-9.5) 4.23 7.57 -4.58 0 2 0 12 267.8 4

Activity (Go SEA)

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