UCSF

ZINC31996533

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 15 Yes

Other Names:

MFCD18378063

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) 0.75 3.91 -31.13 3 3 1 40 207.297 3
Mid Mid (pH 6-8) 0.74 1.81 -42.84 3 3 1 40 207.297 3
Lo Low (pH 4.5-6) 0.75 4.22 -111.32 4 3 2 41 208.305 3

Activity (Go SEA)

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