UCSF

ZINC27638816

Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2009 32 Yes

CAS Number: 359010-70-1

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) 5.00 8.84 -16.7 3 6 0 91 423.424 2
Hi High (pH 8-9.5) 5.00 9.62 -52.02 2 6 -1 94 422.416 2

Activity (Go SEA)

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