UCSF

ZINC03180136

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2004 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) 4.80 10.2 -14.87 1 6 0 88 394.239 4
Hi High (pH 8-9.5) 4.87 8.16 -35.85 0 6 -1 94 393.231 4

Activity (Go SEA)

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