UCSF

ZINC31903409

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 27 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) 3.58 12.68 -43.24 1 5 1 43 369.533 4
Hi High (pH 8-9.5) 3.58 10.38 -15.76 0 5 0 41 368.525 4

Activity (Go SEA)

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