UCSF

ZINC44677164

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 15 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) 1.83 5.66 -34.64 2 2 1 20 205.325 5
Hi High (pH 8-9.5) 1.83 4.51 -2.69 1 2 0 15 204.317 5
Mid Mid (pH 6-8) 1.83 8.14 -106.76 3 2 2 21 206.333 5
Mid Mid (pH 6-8) 1.83 6.99 -34.67 2 2 1 16 205.325 5

Activity (Go SEA)

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