UCSF

ZINC00539730

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) 2.12 2.56 -59.89 2 6 0 82 286.335 5
Mid Mid (pH 6-8) 2.12 2.46 -42.16 1 6 -1 81 285.327 5
Mid Mid (pH 6-8) 1.67 4.37 -71.49 3 6 0 79 287.343 5

Activity (Go SEA)

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