UCSF

ZINC38529147

Substance Information

In ZINC since Heavy atoms Benign functionality
January 26th, 2010 21 No

CAS Number: 1162654-18-3

Other Names:

MFCD00075649

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) 0.03 -1.99 -48.15 3 6 -1 118 289.263 1
Mid Mid (pH 6-8) -0.72 -1.1 -13.01 3 6 0 112 290.271 1

Activity (Go SEA)

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