UCSF

ZINC45693968

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 17 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) 0.58 3.2 -81.8 3 4 2 28 244.427 8
Hi High (pH 8-9.5) 0.58 0.74 -37.8 2 4 1 26 243.419 8
Lo Low (pH 4.5-6) 0.58 5.33 -175.18 4 4 3 29 245.435 8
Lo Low (pH 4.5-6) 0.58 5.47 -180.55 4 4 3 29 245.435 8

Activity (Go SEA)

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