UCSF

ZINC39119715

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2010 12 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) 2.25 5.12 -29.14 2 2 1 26 159.212 1
Mid Mid (pH 6-8) 2.25 4.65 -5.97 1 2 0 25 158.204 1

Activity (Go SEA)

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