UCSF

ZINC62967784

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 16 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) 2.67 6.77 -36.56 1 2 1 8 284.221 3
Hi High (pH 8-9.5) 2.67 4.42 -2.49 0 2 0 6 283.213 3
Mid Mid (pH 6-8) 2.67 6.82 -36.58 1 2 1 8 284.221 3
Lo Low (pH 4.5-6) 2.67 9.18 -109.81 2 2 2 9 285.229 3

Activity (Go SEA)

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