UCSF

ZINC38486319

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2010 24 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) 1.32 3.92 -24.1 2 8 0 114 368.44 8
Hi High (pH 8-9.5) 1.51 2.71 -59.21 1 8 -1 120 367.432 8
Mid Mid (pH 6-8) 1.78 2.03 -57.03 1 8 -1 117 367.432 8

Activity (Go SEA)

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