UCSF

ZINC23069528

Substance Information

In ZINC since Heavy atoms Benign functionality
December 24th, 2008 19 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) 0.97 8.29 -50.82 3 3 1 45 252.341 3
Hi High (pH 8-9.5) 0.97 7.68 -8.4 2 3 0 44 251.333 3
Mid Mid (pH 6-8) 0.97 8.73 -114.81 4 3 2 47 253.349 3

Activity (Go SEA)

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