UCSF

ZINC37848558

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 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) 1.21 1.91 -58.94 4 5 1 75 322.212 8
Hi High (pH 8-9.5) 1.21 0.48 -14.44 3 5 0 71 321.204 8

Activity (Go SEA)

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