UCSF

ZINC37080711

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 16 Yes

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) 1.13 4.75 -123.94 4 3 2 41 222.332 5
Mid Mid (pH 6-8) 1.13 2.97 -42.67 3 3 1 40 221.324 5
Mid Mid (pH 6-8) 1.13 5.42 -29.68 3 3 1 40 221.324 5

Activity (Go SEA)

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