UCSF

ZINC36986380

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 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) 1.29 4.98 -48.93 2 3 1 50 203.265 1
Hi High (pH 8-9.5) 1.29 3.63 -5.69 1 3 0 45 202.257 1

Activity (Go SEA)

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