UCSF

ZINC42851220

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 27 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) 7.70 12.29 -47.93 1 5 -1 86 396.573 16
Hi High (pH 8-9.5) 7.70 12.34 -118.87 0 5 -2 88 395.565 16

Activity (Go SEA)

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