UCSF

ZINC13783291

Substance Information

In ZINC since Heavy atoms Benign functionality
June 25th, 2008 32 No

CAS Number: [6543-77-7]

Other Names:

MFCD18252544

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) -0.87 -0.28 -48.38 6 10 -1 184 443.432 2
Hi High (pH 8-9.5) -1.61 0.05 -67.64 6 10 -1 184 443.432 1
Mid Mid (pH 6-8) -0.87 0.29 -54.54 7 10 0 186 444.44 2

Activity (Go SEA)

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