UCSF

ZINC22001266

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 30 Yes

CAS Number: 114798-26-4

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) 4.84 9.31 -51.14 1 7 -1 91 421.912 8
Lo Low (pH 4.5-6) 4.84 9.71 -53.56 2 7 0 92 422.92 8

Activity (Go SEA)

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