UCSF

ZINC04292105

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2005 27 Yes

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) 4.23 12.02 -23.45 1 5 0 68 378.453 4
Hi High (pH 8-9.5) 4.42 9.67 -50.24 0 5 -1 75 377.445 4

Activity (Go SEA)

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