UCSF

ZINC03181920

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2004 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) 3.18 6.99 -14.35 1 4 0 51 288.372 3
Lo Low (pH 4.5-6) 3.25 4.84 -22.6 2 4 1 56 289.38 3

Activity (Go SEA)

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