UCSF

ZINC34321185

Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2009 9 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) -1.62 -2.42 -101.06 6 3 2 64 132.207 1
Mid Mid (pH 6-8) -1.62 -2.74 -35.76 5 3 1 63 131.199 1

Activity (Go SEA)

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