UCSF

ZINC19681075

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2008 20 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) -0.64 -1.52 -52.12 4 7 1 95 302.424 6
Lo Low (pH 4.5-6) -0.64 0.86 -129.93 5 7 2 96 303.432 6
Lo Low (pH 4.5-6) -0.64 -0.54 -48.29 4 7 1 91 302.424 6

Activity (Go SEA)

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