UCSF

ZINC43539985

Substance Information

In ZINC since Heavy atoms Benign functionality
May 15th, 2010 12 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) -0.23 0.78 -107.95 5 3 2 52 174.288 4
Hi High (pH 8-9.5) -0.23 -1.55 -46.98 4 3 1 51 173.28 4
Mid Mid (pH 6-8) -0.23 0.58 -25.52 4 3 1 51 173.28 4

Activity (Go SEA)

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