UCSF

ZINC19863659

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 20 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) 1.45 4.12 -46.04 5 5 1 97 293.347 4
Mid Mid (pH 6-8) 1.90 2.14 -72.2 4 5 0 100 292.339 4

Activity (Go SEA)

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