UCSF

ZINC35167758

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2009 30 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) 3.13 12.03 -23.78 0 6 0 57 407.514 10
Mid Mid (pH 6-8) 3.13 12.97 -37.96 1 6 1 58 408.522 10

Activity (Go SEA)

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