UCSF

ZINC09193230

Substance Information

In ZINC since Heavy atoms Benign functionality
August 14th, 2007 32 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) 3.33 11.05 -17.21 0 7 0 82 428.444 4
Lo Low (pH 4.5-6) 3.33 2.58 -34.65 1 7 1 83 429.452 4

Activity (Go SEA)

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