UCSF

ZINC08699745

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2007 24 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) 1.13 6.28 -51.5 2 7 0 99 335.404 6
Lo Low (pH 4.5-6) 1.13 6.55 -89.65 3 7 1 100 336.412 6

Activity (Go SEA)

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