UCSF

ZINC12438502

Substance Information

In ZINC since Heavy atoms Benign functionality
May 15th, 2008 26 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) 1.58 -4.4 -47.02 2 6 1 68 354.478 4
Lo Low (pH 4.5-6) 1.58 -4.34 -125.58 3 6 2 69 355.486 4

Activity (Go SEA)

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