UCSF

ZINC13222502

Substance Information

In ZINC since Heavy atoms Benign functionality
June 12th, 2008 28 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) 1.82 2.04 -8.99 2 4 0 66 368.436 5
Lo Low (pH 4.5-6) 1.82 3.21 -35.81 3 4 1 67 369.444 5
Lo Low (pH 4.5-6) 1.82 4.22 -96.03 4 4 2 69 370.452 5

Activity (Go SEA)

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