UCSF

ZINC21782605

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 27 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) 2.52 6.86 -14.69 1 6 0 59 364.449 5
Mid Mid (pH 6-8) 2.52 7.27 -36.21 2 6 1 61 365.457 5

Activity (Go SEA)

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