UCSF

ZINC37826596

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 19 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) 2.44 3 -51.03 4 4 1 68 263.361 3
Mid Mid (pH 6-8) 2.44 2.81 -9.16 3 4 0 67 262.353 3

Activity (Go SEA)

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