UCSF

ZINC35311077

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2009 26 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) 3.73 12.74 -43.81 1 5 1 44 369.514 7
Hi High (pH 8-9.5) 3.73 10.28 -12.75 0 5 0 43 368.506 7

Activity (Go SEA)

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