UCSF

ZINC95936501

Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2014 20 No

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) -4.28 -6 -242.53 4 12 -3 220 337.09 9
Mid Mid (pH 6-8) -4.28 -7.15 -123.87 5 12 -2 217 338.098 9

Activity (Go SEA)

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

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