UCSF

ZINC36986410

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 17 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) 2.10 4.31 -43.14 2 3 1 35 244.261 3
Hi High (pH 8-9.5) 2.10 2.93 -5.98 1 3 0 30 243.253 3

Activity (Go SEA)

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