UCSF

ZINC37876224

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 2009 18 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) 0.99 4.28 -107.58 4 4 2 51 254.374 8
Mid Mid (pH 6-8) 0.99 4.82 -46.8 3 4 1 53 253.366 8

Activity (Go SEA)

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