UCSF

ZINC40096060

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2010 29 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) 3.04 7.9 -12.18 1 6 0 56 412.456 4
Mid Mid (pH 6-8) 3.04 10.06 -50.6 2 6 1 57 413.464 4

Activity (Go SEA)

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