UCSF

ZINC32894188

Substance Information

In ZINC since Heavy atoms Benign functionality
May 11th, 2009 25 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) 3.75 10.11 -13.69 1 5 0 60 366.471 4
Mid Mid (pH 6-8) 3.82 9.02 -47.42 0 5 -1 66 365.463 4

Activity (Go SEA)

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