UCSF

ZINC66189059

Substance Information

In ZINC since Heavy atoms Benign functionality
August 20th, 2011 17 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) 4.04 10.63 -107.99 2 2 2 9 242.451 8
Mid Mid (pH 6-8) 4.04 8.49 -32.16 1 2 1 8 241.443 8
Mid Mid (pH 6-8) 4.04 8.36 -31.64 1 2 1 8 241.443 8

Activity (Go SEA)

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