UCSF

ZINC04503123

Substance Information

In ZINC since Heavy atoms Benign functionality
December 5th, 2005 24 No

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) 6.75 10.04 -7.58 1 3 0 45 377.296 2
Hi High (pH 8-9.5) 7.21 8.02 -47.03 0 3 -1 48 376.288 2
Hi High (pH 8-9.5) 7.21 8.7 -46.51 0 3 -1 48 376.288 2
Mid Mid (pH 6-8) 6.26 9.99 -39.67 0 3 -1 44 376.288 3

Activity (Go SEA)

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