UCSF

ZINC46084888

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2010 25 No

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) 3.79 6.29 -11.11 1 6 0 73 381.215 4
Hi High (pH 8-9.5) 3.79 7.43 -54.14 0 6 -1 76 380.207 4

Activity (Go SEA)

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