UCSF

ZINC53669762

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2010 29 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) 0.62 0.12 -105.49 1 10 -2 150 438.487 3
Mid Mid (pH 6-8) 0.04 0.53 -28.28 1 10 0 144 439.495 3
Lo Low (pH 4.5-6) 0.04 0.23 -22.97 2 10 0 142 440.503 3
Lo Low (pH 4.5-6) 0.04 0.36 -27.26 2 10 0 142 440.503 3

Activity (Go SEA)

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

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