UCSF

ZINC35609781

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2009 15 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) -0.47 -4.43 -12.35 3 6 0 99 252.317 5
Mid Mid (pH 6-8) -0.01 -6.74 -41.86 2 6 -1 102 251.309 5

Activity (Go SEA)

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