UCSF

ZINC61808404

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2011 16 No

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) -1.93 -4.78 -42.02 7 6 1 117 229.304 5
Lo Low (pH 4.5-6) -1.93 -3.03 -112.53 8 6 2 118 230.312 5
Lo Low (pH 4.5-6) -1.93 -3.26 -31.6 7 6 1 117 229.304 5

Activity (Go SEA)

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