UCSF

ZINC36145809

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 31 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) 4.42 10.64 -43.95 2 5 1 55 429.556 10
Hi High (pH 8-9.5) 4.42 8.49 -10.11 1 5 0 54 428.548 10

Activity (Go SEA)

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