UCSF

ZINC08783639

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2007 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) -0.67 3.88 -64.91 2 6 -1 99 304.351 2
Lo Low (pH 4.5-6) -0.67 -3.19 -77.97 3 6 0 100 305.359 2

Activity (Go SEA)

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