UCSF

ZINC09041786

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2007 25 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) 1.90 6.52 -59.55 2 7 -1 111 337.311 4
Mid Mid (pH 6-8) 2.75 5.12 -18.72 3 7 0 113 338.319 4

Activity (Go SEA)

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