UCSF

ZINC33959492

Substance Information

In ZINC since Heavy atoms Benign functionality
August 5th, 2009 32 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) 4.08 9.89 -48.53 3 7 1 84 439.58 13
Hi High (pH 8-9.5) 4.08 7.77 -21.64 2 7 0 83 438.572 13

Activity (Go SEA)

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