UCSF

ZINC29979083

Substance Information

In ZINC since Heavy atoms Benign functionality
March 22nd, 2009 33 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 1.04 8.76 -61.6 2 9 1 84 453.567 7
Hi High (pH 8-9.5) 1.04 6.53 -18.9 1 9 0 83 452.559 7
Lo Low (pH 4.5-6) 1.04 8.75 -52.73 2 9 1 84 453.567 7
Lo Low (pH 4.5-6) 1.04 11.03 -115.67 3 9 2 85 454.575 7

Activity (Go SEA)

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