UCSF

ZINC31936848

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 33 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) 2.16 10.64 -26.21 0 9 0 115 440.463 3
Mid Mid (pH 6-8) -1.76 11.65 -32.16 1 9 1 113 441.471 4

Activity (Go SEA)

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