UCSF

ZINC27999116

Substance Information

In ZINC since Heavy atoms Benign functionality
February 23rd, 2009 22 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) -1.50 2.68 -45.87 4 7 0 117 307.35 7
Hi High (pH 8-9.5) -1.50 2.34 -54.92 3 7 -1 116 306.342 7

Activity (Go SEA)

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