UCSF

ZINC04695913

Substance Information

In ZINC since Heavy atoms Benign functionality
December 30th, 2005 22 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) 4.46 5.37 -39.99 1 4 -1 64 374.239 3
Ref Reference (pH 7) 4.95 5.93 -9.29 2 4 0 65 375.247 2
Hi High (pH 8-9.5) 5.40 4.18 -46.45 1 4 -1 69 374.239 2
Hi High (pH 8-9.5) 5.40 3.49 -46.98 1 4 -1 69 374.239 2

Activity (Go SEA)

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