UCSF

ZINC19789015

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2008 28 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) 3.76 7.15 -51.57 1 6 -1 91 372.404 3
Lo Low (pH 4.5-6) 3.30 8.93 -12.59 2 6 0 88 373.412 3

Activity (Go SEA)

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