UCSF

ZINC23283200

Substance Information

In ZINC since Heavy atoms Benign functionality
December 28th, 2008 22 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) 4.86 9.15 -36.26 1 3 1 17 303.47 3
Hi High (pH 8-9.5) 4.86 6.9 -3.79 0 3 0 16 302.462 3

Activity (Go SEA)

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