UCSF

ZINC50065085

Substance Information

In ZINC since Heavy atoms Benign functionality
October 15th, 2010 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) 0.21 8.03 -52.99 1 5 1 49 240.327 8
Hi High (pH 8-9.5) 0.21 5.72 -10.49 0 5 0 47 239.319 8
Mid Mid (pH 6-8) 0.21 8.5 -100.87 2 5 2 50 241.335 8

Activity (Go SEA)

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