UCSF

ZINC00701730

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 32 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) 4.31 12.19 -13.43 0 4 0 36 455.574 7
Mid Mid (pH 6-8) 4.31 14.44 -57.34 1 4 1 38 456.582 7

Activity (Go SEA)

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