UCSF

ZINC43402120

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 17 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) 0.96 1.71 -107.83 4 5 2 71 254.256 5
Hi High (pH 8-9.5) 0.96 -0.9 -7.71 2 5 0 68 252.24 5
Mid Mid (pH 6-8) 0.96 -0.63 -46.14 3 5 1 70 253.248 5

Activity (Go SEA)

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