UCSF

ZINC43069096

Substance Information

In ZINC since Heavy atoms Benign functionality
May 7th, 2010 26 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) 0.99 6.04 -65.95 2 8 1 80 361.401 4
Hi High (pH 8-9.5) 0.99 4.74 -25.16 1 8 0 76 360.393 4

Activity (Go SEA)

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