UCSF

ZINC35365757

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2009 17 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) 1.88 4.89 -30.85 3 3 1 34 236.383 6
Mid Mid (pH 6-8) 1.88 5.34 -34.6 3 3 1 34 236.383 6
Lo Low (pH 4.5-6) 1.88 7.37 -107.11 4 3 2 35 237.391 6

Activity (Go SEA)

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