UCSF

ZINC36366788

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) 3.50 8.11 -13.67 1 7 0 78 407.47 6
Ref Reference (pH 7) 3.31 10.28 -12.72 1 7 0 75 407.47 6
Lo Low (pH 4.5-6) 3.31 10.74 -37.84 2 7 1 76 408.478 6

Activity (Go SEA)

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