UCSF

ZINC36358771

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2009 30 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) 3.51 7.9 -27.99 2 6 1 67 400.458 3
Ref Reference (pH 7) 2.86 10.2 -13.11 1 6 0 62 399.45 3
Lo Low (pH 4.5-6) 3.51 8.5 -18.88 3 6 0 68 401.466 3

Activity (Go SEA)

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