UCSF

ZINC65535085

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2011 23 Yes

Other Names:

MFCD01305075

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) 1.87 7.52 -95.97 4 5 2 69 313.449 4
Mid Mid (pH 6-8) 1.87 7.13 -48.04 3 5 1 67 312.441 4
Mid Mid (pH 6-8) 1.87 7.54 -101.24 4 5 2 69 313.449 4

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.