UCSF

ZINC22861412

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2008 10 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) 0.32 1.84 -10.29 1 3 0 38 140.186 3
Mid Mid (pH 6-8) 0.32 2.28 -29.34 2 3 1 39 141.194 3

Activity (Go SEA)

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