UCSF

ZINC40977075

Substance Information

In ZINC since Heavy atoms Benign functionality
April 14th, 2010 22 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) 5.29 9.14 -11.44 0 3 0 31 291.35 2
Mid Mid (pH 6-8) 5.29 9.45 -29.34 1 3 1 33 292.358 2

Activity (Go SEA)

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