UCSF

ZINC36398180

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2009 25 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) 4.85 10 -20.35 1 5 0 64 373.865 5
Hi High (pH 8-9.5) 5.04 8.24 -49.65 0 5 -1 70 372.857 5

Activity (Go SEA)

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