UCSF

ZINC43429689

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 18 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) 3.15 2.08 -7.9 3 4 0 72 290.454 5
Lo Low (pH 4.5-6) 3.15 1.93 -55.13 4 4 1 74 291.462 5

Activity (Go SEA)

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