UCSF

ZINC23016073

Substance Information

In ZINC since Heavy atoms Benign functionality
December 23rd, 2008 28 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) 2.30 0.62 -17.41 2 9 0 120 495.373 8
Hi High (pH 8-9.5) 2.30 0.72 -101.52 0 9 -2 124 493.357 8
Hi High (pH 8-9.5) 2.30 0.64 -43.93 1 9 -1 122 494.365 8
Mid Mid (pH 6-8) 2.30 0.69 -46.48 1 9 -1 122 494.365 8

Activity (Go SEA)

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