UCSF

ZINC37504529

Substance Information

In ZINC since Heavy atoms Benign functionality
November 26th, 2009 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) 0.69 5.12 -30.11 3 4 1 56 215.28 3
Mid Mid (pH 6-8) 0.69 4.64 -7.85 2 4 0 55 214.272 3
Lo Low (pH 4.5-6) 0.69 5.58 -80.55 4 4 2 58 216.288 3

Activity (Go SEA)

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