UCSF

ZINC12394701

Substance Information

In ZINC since Heavy atoms Benign functionality
May 12th, 2008 16 Yes

Other Names:

MFCD08558450

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) 1.40 5.66 -33.44 3 3 1 34 218.324 1
Hi High (pH 8-9.5) 1.40 3.53 -3.5 2 3 0 32 217.316 1
Lo Low (pH 4.5-6) 1.40 5.52 -83.67 4 3 2 35 219.332 1
Lo Low (pH 4.5-6) 1.40 6.35 -102.85 4 3 2 35 219.332 1

Activity (Go SEA)

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