UCSF

ZINC37805232

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 20 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) 1.13 4.19 -52.3 3 5 1 68 280.392 2
Mid Mid (pH 6-8) 1.13 4.35 -9.88 2 5 0 67 279.384 2

Activity (Go SEA)

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