UCSF

ZINC19451986

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2008 27 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) 3.22 4.63 -32.57 4 8 1 109 363.401 3
Mid Mid (pH 6-8) 2.72 4.75 -59.87 2 8 -1 111 361.385 4

Activity (Go SEA)

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

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