UCSF

ZINC49551702

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2010 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) 2.55 6.5 -17.61 2 5 0 79 344.798 3
Hi High (pH 8-9.5) 3.01 5.82 -52.42 1 5 -1 82 343.79 3

Activity (Go SEA)

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