UCSF

ZINC37052053

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 20 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) 1.14 6.89 -7.55 2 3 0 46 286.762 2
Mid Mid (pH 6-8) 1.14 7.19 -45.53 3 3 1 48 287.77 2
Mid Mid (pH 6-8) 1.14 7.19 -43.93 3 3 1 48 287.77 2

Activity (Go SEA)

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