UCSF

ZINC22788482

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 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) 3.29 7.93 -174.69 5 4 3 41 367.627 5
Hi High (pH 8-9.5) 3.29 5.31 -34.53 3 4 1 35 365.611 5
Mid Mid (pH 6-8) 3.29 5.58 -105.4 4 4 2 40 366.619 5
Mid Mid (pH 6-8) 3.29 4.7 -42.05 3 4 1 35 365.611 5
Mid Mid (pH 6-8) 3.29 7.68 -89.94 4 4 2 36 366.619 5

Activity (Go SEA)

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