UCSF

ZINC34664235

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 21 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) 2.92 6.43 -49.53 3 4 1 55 283.351 4
Hi High (pH 8-9.5) 2.92 4.98 -7.81 2 4 0 50 282.343 4

Activity (Go SEA)

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