UCSF

ZINC42425314

Substance Information

In ZINC since Heavy atoms Benign functionality
April 28th, 2010 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) 1.58 4.78 -10.54 1 5 0 63 264.325 4
Hi High (pH 8-9.5) 1.58 3.81 -30.19 1 5 0 67 264.325 4
Mid Mid (pH 6-8) 1.58 5.79 -52.26 0 5 -1 65 263.317 4
Lo Low (pH 4.5-6) 1.58 3.04 -37.9 2 5 1 64 265.333 4

Activity (Go SEA)

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