UCSF

ZINC08714969

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2007 20 Yes

Other Names:

MFCD09056269

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) 3.00 -3.55 -11.19 1 5 0 68 357.229 4
Hi High (pH 8-9.5) 3.00 -3.11 -40.01 0 5 -1 70 356.221 4
Lo Low (pH 4.5-6) 3.00 -3.29 -36.79 2 5 1 69 358.237 4

Activity (Go SEA)

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