UCSF

ZINC29973507

Substance Information

In ZINC since Heavy atoms Benign functionality
March 21st, 2009 27 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) 2.83 11.99 -53.84 2 6 1 65 365.457 7
Hi High (pH 8-9.5) 2.83 9.65 -17.47 1 6 0 63 364.449 7

Activity (Go SEA)

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