UCSF

ZINC62035321

Substance Information

In ZINC since Heavy atoms Benign functionality
April 23rd, 2011 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) 2.97 7.46 -35.49 2 3 1 29 291.459 10
Mid Mid (pH 6-8) 2.97 9.18 -101.88 3 3 2 30 292.467 10

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.