UCSF

ZINC38934486

Substance Information

In ZINC since Heavy atoms Benign functionality
February 1st, 2010 25 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) 0.53 7.89 -116.34 3 6 0 93 347.39 3
Hi High (pH 8-9.5) 0.53 7.52 -66.18 2 6 -1 91 346.382 3
Mid Mid (pH 6-8) 0.53 5.89 -69.81 4 6 1 90 348.398 3
Lo Low (pH 4.5-6) -2.22 6.06 -89.09 4 6 1 96 348.398 2

Activity (Go SEA)

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