UCSF

ZINC37851762

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) 1.25 4.76 -109.87 4 4 2 51 272.364 9
Mid Mid (pH 6-8) 1.25 2.28 -47.64 3 4 1 49 271.356 9

Activity (Go SEA)

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