UCSF

ZINC36158627

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 31 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) 3.64 10.21 -56.17 3 6 1 80 442.605 10
Hi High (pH 8-9.5) 4.10 7.53 -50.49 2 6 0 83 441.597 10

Activity (Go SEA)

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