UCSF

ZINC17185907

Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2008 21 No

Other Names:

MFCD02942711

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) 1.61 5.57 -10.15 1 6 0 72 307.375 4
Ref Reference (pH 7) 1.61 5.55 -9.74 1 6 0 72 307.375 4
Hi High (pH 8-9.5) 2.14 4.5 -43.46 0 6 -1 74 306.367 5

Activity (Go SEA)

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