UCSF

ZINC30476313

Substance Information

In ZINC since Heavy atoms Benign functionality
March 29th, 2009 35 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) 3.34 11.02 -26.13 1 8 0 93 496.633 7
Hi High (pH 8-9.5) 3.34 11.47 -70.41 0 8 -1 95 495.625 7

Activity (Go SEA)

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