UCSF

ZINC43895747

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 21 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) 3.90 7.84 -34.75 2 3 1 29 291.459 6
Mid Mid (pH 6-8) 3.90 9.21 -116.56 3 3 2 30 292.467 6
Mid Mid (pH 6-8) 3.90 8.2 -34.94 2 3 1 26 291.459 6

Activity (Go SEA)

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