UCSF

ZINC22914188

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2008 26 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) 1.39 6.28 -40.9 2 6 1 57 367.42 5
Mid Mid (pH 6-8) 1.39 6.29 -40.5 2 6 1 57 367.42 5
Mid Mid (pH 6-8) 1.39 4.07 -15.44 1 6 0 56 366.412 5

Activity (Go SEA)

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