UCSF

ZINC02860988

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2004 28 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) 3.76 10.3 -21.6 1 7 0 82 458.396 9
Hi High (pH 8-9.5) 3.94 9.07 -52.1 0 7 -1 88 457.388 9

Activity (Go SEA)

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