UCSF

ZINC13127422

Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2008 31 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) 2.53 11.28 -21.05 2 9 0 100 423.473 7
Mid Mid (pH 6-8) 2.88 10.86 -25.3 2 9 0 106 423.473 6

Activity (Go SEA)

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