UCSF

ZINC34527484

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 28 No

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) 1.74 2.83 -15.72 2 8 0 109 407.492 9
Hi High (pH 8-9.5) 1.74 4.92 -51.98 1 8 -1 112 406.484 9
Hi High (pH 8-9.5) 1.93 2.88 -52.5 1 8 -1 115 406.484 9

Activity (Go SEA)

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