UCSF

ZINC62954890

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 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) 2.91 6.9 -42.41 2 3 1 42 262.373 4
Hi High (pH 8-9.5) 2.91 5.49 -42.57 0 3 -1 43 260.357 4
Mid Mid (pH 6-8) 2.91 4.71 -7.86 1 3 0 41 261.365 4

Activity (Go SEA)

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