UCSF

ZINC38538718

Substance Information

In ZINC since Heavy atoms Benign functionality
January 26th, 2010 15 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) 1.60 5.93 -31.87 3 2 1 30 205.325 3
Mid Mid (pH 6-8) 1.60 4.09 -43.73 3 2 1 31 205.325 3
Lo Low (pH 4.5-6) 1.60 6.22 -116.68 4 2 2 32 206.333 3

Activity (Go SEA)

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