UCSF

ZINC35415363

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 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) 2.04 8.14 -57.4 1 4 0 48 262.353 5
Mid Mid (pH 6-8) 2.04 7.85 -35.83 1 4 0 48 262.353 5
Mid Mid (pH 6-8) 2.04 5.86 -50.01 0 4 -1 47 261.345 5

Activity (Go SEA)

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