UCSF

ZINC36668230

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2009 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) 4.19 7.04 -35.38 3 2 1 29 344.292 3
Mid Mid (pH 6-8) 4.19 8.23 -107.05 4 2 2 33 345.3 3

Activity (Go SEA)

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