UCSF

ZINC62442510

Substance Information

In ZINC since Heavy atoms Benign functionality
May 1st, 2011 19 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) 2.86 5.95 -10.42 2 4 0 44 263.385 6
Lo Low (pH 4.5-6) 2.86 6.73 -22.73 3 4 0 46 264.393 6

Activity (Go SEA)

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