UCSF

ZINC36777311

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 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) 0.24 1.31 -40.96 3 4 1 53 238.355 8
Hi High (pH 8-9.5) 0.24 -0.05 -6.1 2 4 0 48 237.347 8
Hi High (pH 8-9.5) 0.24 2.37 -36.13 3 4 1 50 238.355 8
Mid Mid (pH 6-8) 0.24 2.03 -81.52 4 4 2 54 239.363 8
Mid Mid (pH 6-8) 0.24 4.26 -45.61 3 4 1 57 238.355 8

Activity (Go SEA)

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