UCSF

ZINC44890102

Substance Information

In ZINC since Heavy atoms Benign functionality
July 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) 3.30 7.18 -14.71 2 7 0 78 413.547 5
Mid Mid (pH 6-8) 3.30 9.38 -49.49 3 7 1 79 414.555 5

Activity (Go SEA)

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