UCSF

ZINC02862171

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2004 17 Yes

Other Names:

MFCD04153155

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) 2.95 6.26 -5.72 1 3 0 34 246.335 6
Lo Low (pH 4.5-6) 2.95 6.7 -30.1 2 3 1 35 247.343 6

Activity (Go SEA)

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