UCSF

ZINC69373311

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2011 23 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) 1.00 5.38 -43.63 2 6 1 57 323.461 5
Hi High (pH 8-9.5) 1.00 3.01 -14.95 1 6 0 56 322.453 5

Activity (Go SEA)

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