UCSF

ZINC14791588

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2008 27 No

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) 3.51 8.96 -21.16 1 8 0 106 385.401 6
Hi High (pH 8-9.5) 3.58 6.84 -62.04 0 8 -1 113 384.393 6

Activity (Go SEA)

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