UCSF

ZINC34962605

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 32 Yes

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) 3.78 13.71 -59.52 1 6 1 42 456.01 7
Hi High (pH 8-9.5) 3.78 11.23 -12.6 0 6 0 41 455.002 7

Activity (Go SEA)

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