UCSF

ZINC37220519

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 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) 3.02 6.4 -42.56 2 3 1 29 318.268 4
Hi High (pH 8-9.5) 3.02 4.38 -2.71 1 3 0 24 317.26 4
Mid Mid (pH 6-8) 3.02 6.89 -36.45 2 3 1 26 318.268 4
Lo Low (pH 4.5-6) 3.02 8.56 -123.15 3 3 2 30 319.276 4

Activity (Go SEA)

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