UCSF

ZINC58233489

Substance Information

In ZINC since Heavy atoms Benign functionality
February 3rd, 2011 18 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) 1.93 6.11 -51.61 2 4 1 46 269.752 4
Hi High (pH 8-9.5) 1.93 4.64 -11.88 1 4 0 42 268.744 4

Activity (Go SEA)

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