UCSF

ZINC36777198

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 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) 1.01 3.76 -51.37 3 4 1 53 272.372 6
Mid Mid (pH 6-8) 1.01 5.77 -126.6 4 4 2 54 273.38 6
Lo Low (pH 4.5-6) 1.01 3.84 -102.32 4 4 2 54 273.38 6

Activity (Go SEA)

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