UCSF

ZINC13508937

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 29 No

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) -2.66 2.87 -361.44 2 16 -4 250 471.152 8
Mid Mid (pH 6-8) -2.66 1.72 -224.96 3 16 -3 247 472.16 8

Activity (Go SEA)

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