UCSF

ZINC33708850

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 2009 36 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) 7.00 15.03 -19.62 1 6 0 75 527.134 11
Hi High (pH 8-9.5) 7.18 13.96 -49.3 0 6 -1 82 526.126 11

Activity (Go SEA)

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