UCSF

ZINC08830737

Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 2007 20 Yes

CAS Number: 116285-77-9

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) -0.82 -4.17 -27.06 4 9 0 133 302.674 2
Hi High (pH 8-9.5) -0.36 -6.25 -59.79 3 9 -1 137 301.666 2

Activity (Go SEA)

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