UCSF

ZINC19964009

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 16 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) 1.94 4.64 -6.34 1 3 0 34 214.268 4
Lo Low (pH 4.5-6) 1.94 5.08 -39.28 2 3 1 35 215.276 4

Activity (Go SEA)

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