UCSF

ZINC19688094

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2008 14 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) -1.35 -1.53 -98.36 5 5 2 64 202.302 4
Hi High (pH 8-9.5) -1.35 -3.76 -51.82 4 5 1 63 201.294 4
Lo Low (pH 4.5-6) -1.35 -1.28 -118.17 5 5 2 64 202.302 4

Activity (Go SEA)

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