UCSF

ZINC69456920

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2011 24 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) 1.29 7.48 -47 2 6 1 63 334.44 7
Hi High (pH 8-9.5) 1.29 5.25 -18.97 1 6 0 62 333.432 7

Activity (Go SEA)

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