UCSF

ZINC34962404

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 34 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) 2.27 9.3 -61.68 3 8 1 83 485.008 8
Hi High (pH 8-9.5) 2.27 7.86 -19.47 2 8 0 79 484 8

Activity (Go SEA)

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