UCSF

ZINC34321052

Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2009 12 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) 0.76 2.07 -127.49 6 2 2 55 166.268 3
Mid Mid (pH 6-8) 0.76 1.73 -37.35 5 2 1 54 165.26 3
Mid Mid (pH 6-8) 0.76 1.74 -40 5 2 1 54 165.26 3

Activity (Go SEA)

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