UCSF

ZINC36880474

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 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) 1.89 3.8 -81 3 4 0 69 302.296 3
Lo Low (pH 4.5-6) 1.89 3.02 -54.48 4 4 1 66 303.304 3

Activity (Go SEA)

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