UCSF

ZINC41042140

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 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) 0.97 3.12 -93.8 4 3 2 35 215.385 4
Hi High (pH 8-9.5) 0.97 1.12 -41.93 3 3 1 34 214.377 4
Mid Mid (pH 6-8) 0.97 3.15 -108.7 4 3 2 35 215.385 4

Activity (Go SEA)

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