UCSF

ZINC20524665

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2008 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) 3.01 5.54 -33.35 2 4 1 38 301.495 9
Lo Low (pH 4.5-6) 3.01 7.84 -104.62 3 4 2 40 302.503 9

Activity (Go SEA)

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