UCSF

ZINC31744503

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 2009 32 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) 2.86 9.94 -27.15 0 7 0 72 454.889 4
Mid Mid (pH 6-8) 2.86 12.16 -58.31 1 7 1 73 455.897 4

Activity (Go SEA)

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