UCSF

ZINC00422680

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 21 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) 2.64 5.47 -38.63 4 5 1 82 319.435 2
Hi High (pH 8-9.5) 2.71 3.53 -50.82 2 5 -1 87 317.419 2
Mid Mid (pH 6-8) 2.64 5.08 -13.99 3 5 0 81 318.427 2

Activity (Go SEA)

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