UCSF

ZINC73388515

Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 2012 21 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) 3.66 6.34 -11.89 1 5 0 73 286.283 3
Hi High (pH 8-9.5) 3.66 7.26 -54.47 0 5 -1 76 285.275 3

Activity (Go SEA)

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