UCSF

ZINC04266174

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2005 22 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) 3.88 8.71 -10.59 1 4 0 51 307.378 4
Lo Low (pH 4.5-6) 3.88 9.14 -26.68 2 4 1 52 308.386 4

Activity (Go SEA)

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