UCSF

ZINC45630771

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 15 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) 1.74 4.48 -41.21 3 2 1 31 209.357 2
Mid Mid (pH 6-8) 1.74 6.14 -32.61 3 2 1 30 209.357 2
Lo Low (pH 4.5-6) 1.74 6.47 -111.76 4 2 2 32 210.365 2

Activity (Go SEA)

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