UCSF

ZINC37094877

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) 1.87 8.68 -34.11 3 2 1 30 257.401 6
Mid Mid (pH 6-8) 1.87 9.02 -131.86 4 2 2 32 258.409 6
Mid Mid (pH 6-8) 1.87 7.17 -42.88 3 2 1 31 257.401 6

Activity (Go SEA)

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