UCSF

ZINC44883060

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2010 21 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) -0.61 -0.88 -81.67 4 8 0 127 306.351 4
Hi High (pH 8-9.5) -0.61 -1.28 -41.99 3 8 -1 125 305.343 4
Lo Low (pH 4.5-6) -0.61 -0.64 -63.32 5 8 1 128 307.359 4

Activity (Go SEA)

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