UCSF

ZINC13131152

Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2008 25 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) 3.02 10.1 -15.51 1 5 0 63 332.407 5
Mid Mid (pH 6-8) 3.02 11.02 -29.6 3 5 1 68 333.415 5
Mid Mid (pH 6-8) 3.02 10.58 -29.19 2 5 1 65 333.415 5
Lo Low (pH 4.5-6) 3.02 10.42 -35.59 2 5 1 65 333.415 5

Activity (Go SEA)

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