UCSF

ZINC13728434

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 33 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) 3.06 7.91 -14 0 7 0 74 444.487 6
Lo Low (pH 4.5-6) 3.06 11.05 -112.98 2 7 2 76 446.503 6

Activity (Go SEA)

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