UCSF

ZINC08599143

Substance Information

In ZINC since Heavy atoms Benign functionality
June 14th, 2007 34 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) 3.98 12.99 -15.84 2 7 0 89 471.586 8
Lo Low (pH 4.5-6) 4.23 9.47 -43.57 3 7 1 98 472.594 8

Activity (Go SEA)

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