UCSF

ZINC21581277

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 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) 3.03 8.46 -55.12 1 7 0 93 434.29 7
Hi High (pH 8-9.5) 3.03 6.04 -48.89 0 7 -1 92 433.282 7
Mid Mid (pH 6-8) 2.58 6.92 -26.2 1 7 0 88 434.29 7
Lo Low (pH 4.5-6) 2.58 9.54 -71.22 2 7 1 90 435.298 7

Activity (Go SEA)

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