UCSF

ZINC02789803

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2004 34 No

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) 3.88 9.53 -14.85 2 7 0 95 450.498 5
Lo Low (pH 4.5-6) 3.88 9.86 -60.28 3 7 1 97 451.506 5

Activity (Go SEA)

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