UCSF

ZINC33691376

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2009 34 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) 3.81 10.54 -29.27 2 7 0 91 499.036 10
Hi High (pH 8-9.5) 3.63 9.47 -65.48 1 7 -1 98 498.028 10

Activity (Go SEA)

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