UCSF

ZINC21630202

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2008 22 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) 1.83 4.57 -43.83 2 6 1 59 306.365 5
Hi High (pH 8-9.5) 1.83 2.1 -10.43 1 6 0 57 305.357 5
Mid Mid (pH 6-8) 1.83 4.44 -48.41 2 6 1 59 306.365 5

Activity (Go SEA)

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