UCSF

ZINC44609624

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 14 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) 1.90 7.42 -37.16 1 2 1 17 278.239 6
Hi High (pH 8-9.5) 1.90 5.05 -4.95 0 2 0 16 277.231 6

Activity (Go SEA)

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