UCSF

ZINC31959687

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 22 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) 2.42 5.21 -57.32 4 5 1 79 320.438 6
Hi High (pH 8-9.5) 2.98 4.13 -11.89 3 5 0 80 319.43 5
Mid Mid (pH 6-8) 2.23 4.14 -45.96 3 5 0 85 319.43 6

Activity (Go SEA)

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