UCSF

ZINC12570026

Substance Information

In ZINC since Heavy atoms Benign functionality
May 18th, 2008 23 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) 4.43 6.95 -20.91 2 4 0 62 322.389 4
Mid Mid (pH 6-8) 4.43 6.53 -47.04 1 4 -1 64 321.381 4

Activity (Go SEA)

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