UCSF

ZINC03190817

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2004 22 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) 0.60 10.51 -24.25 1 3 1 33 309.414 3
Lo Low (pH 4.5-6) 0.60 9.49 -14.68 2 3 0 36 310.422 3

Activity (Go SEA)

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