UCSF

ZINC37003970

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 16 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) 1.01 3.66 -46.14 4 4 1 60 242.73 3
Hi High (pH 8-9.5) 1.01 3.33 -6.81 3 4 0 58 241.722 3

Activity (Go SEA)

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