UCSF

ZINC36790192

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 19 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) 2.88 6.91 -114.41 4 3 2 41 266.429 8
Hi High (pH 8-9.5) 2.88 6.98 -27.01 3 3 1 40 265.421 8
Hi High (pH 8-9.5) 2.88 5.19 -40.53 3 3 1 40 265.421 8

Activity (Go SEA)

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