UCSF

ZINC77264095

Substance Information

In ZINC since Heavy atoms Benign functionality
September 19th, 2012 14 Yes

Other Names:

MFCD27967415

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) -2.55 -5.15 -53.04 5 6 1 95 205.234 4
Mid Mid (pH 6-8) -2.55 -5.45 -11.12 4 6 0 94 204.226 4

Activity (Go SEA)

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

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