UCSF

ZINC02054801

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2004 33 No

Other Names:

MFCD00702013

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) 4.20 8.53 -19.68 3 9 0 130 512.316 9
Hi High (pH 8-9.5) 4.20 9.54 -61.17 2 9 -1 133 511.308 9

Activity (Go SEA)

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