UCSF

ZINC36358430

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2009 28 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) 3.13 7.82 -13.11 1 6 0 69 373.412 5
Ref Reference (pH 7) 2.94 10.47 -12.52 1 6 0 65 373.412 5
Lo Low (pH 4.5-6) 2.94 10.93 -41.65 2 6 1 67 374.42 5

Activity (Go SEA)

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