UCSF

ZINC02960232

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) 3.53 7.01 -39.61 2 6 0 88 371.462 6
Hi High (pH 8-9.5) 2.88 -4.31 -48.51 1 6 -1 89 370.454 6

Activity (Go SEA)

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