UCSF

ZINC37140242

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2009 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) 3.07 4.93 -43.92 3 3 1 40 289.443 5
Mid Mid (pH 6-8) 3.07 6.27 -34.55 3 3 1 37 289.443 5
Mid Mid (pH 6-8) 3.07 7.29 -109.78 4 3 2 41 290.451 5

Activity (Go SEA)

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