UCSF

ZINC16408136

Substance Information

In ZINC since Heavy atoms Benign functionality
August 28th, 2008 32 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) 4.12 9.45 -13.95 0 6 0 57 437.536 8
Lo Low (pH 4.5-6) 4.12 11.74 -55.03 1 6 1 58 438.544 8

Activity (Go SEA)

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