UCSF

ZINC37049566

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 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) 0.49 2.33 -112.44 5 5 2 64 286.464 8
Hi High (pH 8-9.5) 0.49 0.13 -6.95 3 5 0 62 284.448 8
Hi High (pH 8-9.5) 0.49 0.51 -47.09 4 5 1 63 285.456 8
Mid Mid (pH 6-8) 0.49 2.79 -96.37 5 5 2 64 286.464 8

Activity (Go SEA)

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