UCSF

ZINC44684092

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 19 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) 3.26 7.93 -40.55 2 2 1 20 259.417 6
Hi High (pH 8-9.5) 3.26 6.88 -2.06 1 2 0 15 258.409 6
Mid Mid (pH 6-8) 3.26 9.16 -32.91 2 2 1 16 259.417 6
Lo Low (pH 4.5-6) 3.26 10.17 -111.65 3 2 2 21 260.425 6

Activity (Go SEA)

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