UCSF

ZINC30699793

Substance Information

In ZINC since Heavy atoms Benign functionality
April 1st, 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) 2.23 4.72 -12.52 1 6 0 60 370.449 7
Lo Low (pH 4.5-6) 2.23 7.17 -46.81 2 6 1 61 371.457 7

Activity (Go SEA)

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