UCSF

ZINC12442462

Substance Information

In ZINC since Heavy atoms Benign functionality
May 15th, 2008 31 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) 3.87 10.41 -49.81 1 6 1 56 421.517 5
Hi High (pH 8-9.5) 3.87 7.49 -13.89 0 6 0 55 420.509 5
Mid Mid (pH 6-8) 3.87 9.62 -48.22 1 6 1 56 421.517 5
Lo Low (pH 4.5-6) 3.87 12.5 -119.42 2 6 2 58 422.525 5

Activity (Go SEA)

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