UCSF

ZINC36236147

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 20 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) 0.86 2.7 -53.13 3 6 1 81 276.316 4
Hi High (pH 8-9.5) 0.86 1.23 -15.09 2 6 0 76 275.308 4

Activity (Go SEA)

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