UCSF

ZINC37825714

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 21 No

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) -2.12 -2.21 -76.5 3 7 1 116 337.443 6
Hi High (pH 8-9.5) -2.12 -2.51 -25.35 2 7 0 115 336.435 6

Activity (Go SEA)

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