UCSF

ZINC33858308

Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 2009 25 Yes

Other Names:

erg-

Propisergide (INN)

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) 1.43 4.32 -11.86 2 5 0 57 339.439 3
Mid Mid (pH 6-8) 1.43 6.5 -42.79 3 5 1 59 340.447 3

Activity (Go SEA)

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