UCSF

ZINC08399651

Substance Information

In ZINC since Heavy atoms Benign functionality
July 13th, 2006 26 No

Other Names:

MFCD02952283

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) 2.56 7 -18.74 2 6 0 76 435.299 4
Hi High (pH 8-9.5) 2.56 7.94 -52.21 1 6 -1 79 434.291 4

Activity (Go SEA)

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