UCSF

ZINC22042558

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 24 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) 4.50 12.15 -37.28 1 2 1 8 323.504 6
Hi High (pH 8-9.5) 4.50 9.94 -2.8 0 2 0 6 322.496 6

Activity (Go SEA)

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