UCSF

ZINC21813978

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 20 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) 3.84 6.34 -46.85 2 3 1 29 362.357 7
Hi High (pH 8-9.5) 3.84 4.58 -2.77 1 3 0 24 361.349 7
Lo Low (pH 4.5-6) 3.84 8.29 -135.8 3 3 2 30 363.365 7
Lo Low (pH 4.5-6) 3.84 8.35 -35.43 2 3 1 26 362.357 7

Activity (Go SEA)

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