UCSF

ZINC27525762

Substance Information

In ZINC since Heavy atoms Benign functionality
February 16th, 2009 23 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) 0.41 8.04 -68.41 0 5 -1 65 315.324 3
Mid Mid (pH 6-8) -2.34 7.09 -27.5 1 5 0 68 316.332 2

Activity (Go SEA)

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