UCSF

ZINC36108675

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 32 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) -1.18 3.01 -26.43 2 8 0 114 433.464 5
Mid Mid (pH 6-8) -1.18 2.23 -46.01 3 8 1 111 434.472 5

Activity (Go SEA)

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

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