UCSF

ZINC19996926

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 19 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) 4.46 9.85 -107.58 3 2 2 21 268.489 5
Mid Mid (pH 6-8) 4.46 7.98 -32.33 2 2 1 20 267.481 5

Activity (Go SEA)

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