UCSF

ZINC58418393

Substance Information

In ZINC since Heavy atoms Benign functionality
February 6th, 2011 25 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) 4.03 9.11 -37.52 2 4 1 37 385.359 5
Mid Mid (pH 6-8) 4.03 8.96 -43.11 2 4 1 37 385.359 5
Mid Mid (pH 6-8) 4.03 11.35 -109.68 3 4 2 38 386.367 5

Activity (Go SEA)

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