UCSF

ZINC45630706

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 14 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) 1.41 3.72 -41.33 3 2 1 31 195.33 2
Mid Mid (pH 6-8) 1.41 5.52 -34.84 3 2 1 30 195.33 2
Lo Low (pH 4.5-6) 1.41 5.84 -107.51 4 2 2 32 196.338 2

Activity (Go SEA)

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