UCSF

ZINC27999886

Substance Information

In ZINC since Heavy atoms Benign functionality
February 23rd, 2009 15 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) 0.16 1.79 -11.85 1 6 0 81 206.205 2
Hi High (pH 8-9.5) 0.62 0.03 -49.04 0 6 -1 84 205.197 2

Activity (Go SEA)

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