UCSF

ZINC37979094

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2009 21 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 5.01 -49.74 2 5 1 47 289.403 6
Mid Mid (pH 6-8) 1.41 3.65 -10.26 1 5 0 42 288.395 6
Lo Low (pH 4.5-6) 1.41 6.4 -86.48 3 5 2 45 290.411 6

Activity (Go SEA)

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