UCSF

ZINC36159199

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 30 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) 3.31 10.52 -58.27 3 7 1 97 436.598 12
Hi High (pH 8-9.5) 3.77 7.48 -51.7 2 7 0 100 435.59 12

Activity (Go SEA)

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