UCSF

ZINC36828985

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2009 14 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 0.03 -12.95 1 5 0 70 216.262 3
Hi High (pH 8-9.5) 0.68 -1.87 -45.96 0 5 -1 73 215.254 3

Activity (Go SEA)

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