UCSF

ZINC20129423

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 16 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) 2.92 8.97 -109.62 3 2 2 21 222.376 6
Mid Mid (pH 6-8) 2.92 6.57 -30.48 2 2 1 20 221.368 6
Mid Mid (pH 6-8) 2.92 7.97 -36.22 2 2 1 16 221.368 6

Activity (Go SEA)

Rings

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