UCSF

ZINC49110799

Substance Information

In ZINC since Heavy atoms Benign functionality
September 24th, 2010 34 Yes

Other Names:

LOMERIZINE

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) 4.77 12.71 -56.28 1 5 1 35 469.552 8
Mid Mid (pH 6-8) 4.77 10.44 -10.45 0 5 0 34 468.544 8
Mid Mid (pH 6-8) 4.77 12.29 -53.12 1 5 1 35 469.552 8

Activity (Go SEA)

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

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