UCSF

ZINC36159154

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 32 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) 3.90 10.86 -58.17 3 6 1 80 456.632 11
Hi High (pH 8-9.5) 4.36 8.11 -52.05 2 6 0 83 455.624 11

Activity (Go SEA)

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