UCSF

ZINC27549062

Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 2009 32 No

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) 2.71 7.95 -47.08 0 8 -1 98 432.456 7
Mid Mid (pH 6-8) 2.25 9.73 -12.64 1 8 0 95 433.464 7

Activity (Go SEA)

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