UCSF

ZINC46018859

Substance Information

In ZINC since Heavy atoms Benign functionality
August 7th, 2010 30 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) 1.60 5.64 -17.32 2 7 0 78 412.534 7
Mid Mid (pH 6-8) 1.60 7.93 -43.79 3 7 1 79 413.542 7

Activity (Go SEA)

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