UCSF

ZINC37524384

Substance Information

In ZINC since Heavy atoms Benign functionality
November 26th, 2009 37 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) 6.21 13.61 -9.59 0 4 0 33 510.6 9
Mid Mid (pH 6-8) 6.21 16.6 -52.14 1 4 1 34 511.608 9

Activity (Go SEA)

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