UCSF

ZINC40334055

Substance Information

In ZINC since Heavy atoms Benign functionality
April 6th, 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) -0.29 2.04 -14.06 2 6 0 70 310.423 3
Mid Mid (pH 6-8) -0.29 4.19 -48.63 3 6 1 71 311.431 3
Lo Low (pH 4.5-6) -0.29 3.98 -100.97 4 6 2 73 312.439 3

Activity (Go SEA)

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