UCSF

ZINC36366563

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2009 27 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) 3.35 7.55 -13.7 1 6 0 69 383.835 4
Ref Reference (pH 7) 3.17 10.2 -13.18 1 6 0 65 383.835 4
Lo Low (pH 4.5-6) 3.35 8.01 -33.27 2 6 1 70 384.843 4

Activity (Go SEA)

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