UCSF

ZINC45630780

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 16 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) 2.65 6.43 -33.3 2 2 1 16 223.384 3
Mid Mid (pH 6-8) 2.65 5.72 -36.69 2 2 1 20 223.384 3
Lo Low (pH 4.5-6) 2.65 7.68 -102.27 3 2 2 21 224.392 3

Activity (Go SEA)

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