UCSF

ZINC37094912

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 17 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) 0.57 3.4 -41.08 3 3 1 40 235.351 4
Hi High (pH 8-9.5) 0.57 3.32 -2.83 2 3 0 38 234.343 4
Mid Mid (pH 6-8) 0.57 5.23 -34.73 3 3 1 40 235.351 4
Mid Mid (pH 6-8) 0.57 5.53 -123.93 4 3 2 41 236.359 4

Activity (Go SEA)

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