UCSF

ZINC70193583

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 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) 1.60 4.53 -53.6 3 5 1 66 307.443 5
Mid Mid (pH 6-8) 1.60 6.64 -122.6 4 5 2 67 308.451 5
Mid Mid (pH 6-8) 2.06 4.01 -101.63 3 5 1 70 307.443 5

Activity (Go SEA)

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

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