UCSF

ZINC44197597

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 30 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 3.40 13.63 -56.45 0 6 -1 83 401.442 7
Lo Low (pH 4.5-6) 3.40 14.09 -69.17 1 6 0 84 402.45 7

Activity (Go SEA)

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