UCSF

ZINC04231485

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 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) 4.78 4.58 -8.49 4 5 0 88 491.965 3
Hi High (pH 8-9.5) 4.78 5.35 -46.19 3 5 -1 91 490.957 3

Activity (Go SEA)

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