UCSF

ZINC36127728

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 19 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) -0.99 2.94 -95.16 5 6 2 81 272.393 9
Hi High (pH 8-9.5) -0.99 0.68 -50.21 4 6 1 80 271.385 9

Activity (Go SEA)

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