UCSF

ZINC45303158

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2010 34 No

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) 4.17 8.6 -23.49 10 11 0 196 492.594 6
Mid Mid (pH 6-8) 2.44 7.96 -50.2 11 11 1 192 493.602 8
Mid Mid (pH 6-8) 2.44 7.96 -47.43 11 11 1 192 493.602 8
Lo Low (pH 4.5-6) 2.44 7.93 -86.46 12 11 2 194 494.61 8

Activity (Go SEA)

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