UCSF

ZINC42597969

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 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) 1.66 8.82 -82.23 3 3 2 21 253.434 4
Hi High (pH 8-9.5) 1.66 6.82 -27.39 2 3 1 20 252.426 4
Mid Mid (pH 6-8) 1.66 4.85 -28.69 2 3 1 23 252.426 4
Lo Low (pH 4.5-6) 1.66 8.75 -189.39 4 3 3 25 254.442 4

Activity (Go SEA)

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