UCSF

ZINC12765338

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2008 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) 2.66 10.14 -22.63 1 7 0 86 412.515 6
Mid Mid (pH 6-8) 2.66 10.57 -29.3 2 7 1 87 413.523 6

Activity (Go SEA)

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