UCSF

ZINC04587387

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2005 25 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) 4.63 6.64 -15.21 2 5 0 71 407.308 4
Hi High (pH 8-9.5) 4.63 7.56 -51.83 1 5 -1 74 406.3 4

Activity (Go SEA)

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