UCSF

ZINC36327457

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2009 18 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) 1.03 4.42 -41.89 2 5 1 47 253.37 4
Hi High (pH 8-9.5) 1.03 3.05 -4.9 1 5 0 42 252.362 4

Activity (Go SEA)

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