UCSF

ZINC02986658

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2004 33 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) 3.69 12.22 -67.75 1 9 -1 134 445.407 7
Hi High (pH 8-9.5) 4.15 10.81 -134.63 0 9 -2 138 444.399 7

Activity (Go SEA)

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