UCSF

ZINC44677161

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 5.65 -34.55 2 2 1 20 205.325 5
Hi High (pH 8-9.5) 1.83 4.34 -1.88 1 2 0 15 204.317 5
Mid Mid (pH 6-8) 1.83 8.13 -106.73 3 2 2 21 206.333 5
Mid Mid (pH 6-8) 1.83 6.82 -33.16 2 2 1 16 205.325 5

Activity (Go SEA)

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