UCSF

ZINC45650422

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 15 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) 1.22 4.68 -101.93 3 3 2 24 215.385 6
Hi High (pH 8-9.5) 1.22 4.62 -107 3 3 2 24 215.385 6
Hi High (pH 8-9.5) 1.22 2.2 -38.5 2 3 1 23 214.377 6
Mid Mid (pH 6-8) 1.22 5.93 -76.27 3 3 2 21 215.385 6

Activity (Go SEA)

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