UCSF

ZINC37049284

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 17 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) -0.31 1.06 -95.61 5 5 2 64 244.383 7
Mid Mid (pH 6-8) -0.31 0.97 -88.52 5 5 2 64 244.383 7
Mid Mid (pH 6-8) -0.31 -1.22 -48.44 4 5 1 63 243.375 7

Activity (Go SEA)

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