UCSF

ZINC19808673

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2008 30 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) 3.90 11.84 -20.73 1 7 0 82 457.968 8
Hi High (pH 8-9.5) 4.08 10.76 -48.17 0 7 -1 88 456.96 8

Activity (Go SEA)

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