UCSF

ZINC37078416

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 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) 0.93 4.51 -126.57 4 5 2 60 270.373 7
Mid Mid (pH 6-8) 0.93 2.19 -51.14 3 5 1 59 269.365 7
Mid Mid (pH 6-8) 0.93 4.02 -34.21 3 5 1 58 269.365 7

Activity (Go SEA)

Rings

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