UCSF

ZINC44672334

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2010 38 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) 0.90 1.03 -54.13 7 11 1 187 528.534 4
Hi High (pH 8-9.5) 0.90 0.62 -19.9 6 11 0 186 527.526 4

Activity (Go SEA)

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