UCSF

ZINC36359062

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2009 27 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) 1.41 3.29 -12.96 1 7 0 76 396.488 7
Mid Mid (pH 6-8) 1.41 5.57 -53.6 2 7 1 78 397.496 7

Activity (Go SEA)

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