UCSF

ZINC36831867

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2009 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) -1.57 -1.32 -94.38 2 8 -2 138 253.214 5
Hi High (pH 8-9.5) -1.57 -2.27 -96.93 2 8 -2 138 253.214 5
Mid Mid (pH 6-8) -2.03 0.42 -47.69 3 8 -1 135 254.222 5

Activity (Go SEA)

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