UCSF

ZINC36081867

Substance Information

In ZINC since Heavy atoms Benign functionality
October 22nd, 2009 33 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) 3.98 9.33 -49.14 0 8 -1 114 447.398 6
Lo Low (pH 4.5-6) 3.52 11.76 -13.86 1 8 0 111 448.406 6

Activity (Go SEA)

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