UCSF

ZINC20204979

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 29 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) 4.38 12.1 -39.08 1 3 1 11 392.611 7
Hi High (pH 8-9.5) 4.39 12.19 -38.5 1 3 1 11 392.611 7
Mid Mid (pH 6-8) 4.39 14.51 -91.65 2 3 2 12 393.619 7
Lo Low (pH 4.5-6) 4.38 14.28 -114 2 3 2 12 393.619 7

Activity (Go SEA)

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