UCSF

ZINC02960313

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2004 26 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) 3.28 7.94 -34.79 1 6 0 79 377.51 4
Hi High (pH 8-9.5) 2.63 -2.67 -44.65 0 6 -1 80 376.502 4

Activity (Go SEA)

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