UCSF

ZINC21659028

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2008 37 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) 4.26 10.5 -14.61 2 8 0 90 494.551 3
Hi High (pH 8-9.5) 4.26 11.3 -46.94 1 8 -1 93 493.543 3

Activity (Go SEA)

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