UCSF

ZINC37081995

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 19 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) 2.94 7.07 -128.43 4 2 2 32 258.409 5
Mid Mid (pH 6-8) 2.94 8.19 -29.28 3 2 1 30 257.401 5
Mid Mid (pH 6-8) 2.94 5.31 -46.22 3 2 1 31 257.401 5

Activity (Go SEA)

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