UCSF

ZINC34533945

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 24 Yes

Other Names:

MFCD19105543

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) 2.40 5.35 -42.14 3 4 1 60 334.321 3
Mid Mid (pH 6-8) 2.40 5.01 -11.44 2 4 0 59 333.313 3

Activity (Go SEA)

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