UCSF

ZINC06142779

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2006 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) 4.22 8.7 -14.67 2 7 0 93 412.534 10
Mid Mid (pH 6-8) 4.22 9.23 -32.12 3 7 1 94 413.542 10

Activity (Go SEA)

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