UCSF

ZINC36681100

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2009 16 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) 2.05 4.22 -49.64 5 3 1 67 252.388 3
Lo Low (pH 4.5-6) 2.05 3.99 -134.97 6 3 2 68 253.396 3

Activity (Go SEA)

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