UCSF

ZINC02721357

Substance Information

In ZINC since Heavy atoms Benign functionality
October 15th, 2005 19 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) 2.20 6.3 -8.64 1 4 0 47 259.353 4
Mid Mid (pH 6-8) 2.20 7.33 -29.5 2 4 1 48 260.361 4

Activity (Go SEA)

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