UCSF

ZINC02971210

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2004 28 No

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) 6.07 12.68 -21.91 1 6 0 88 436.32 6
Hi High (pH 8-9.5) 6.14 10.67 -49.65 0 6 -1 94 435.312 6

Activity (Go SEA)

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