UCSF

ZINC27653305

Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2009 13 Yes

Other Names:

MFCD22688945

MFCD24387897

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) 1.32 0.08 -59.42 4 3 1 61 175.211 1
Mid Mid (pH 6-8) 1.32 0.71 -41.63 3 3 0 64 174.203 1

Activity (Go SEA)

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