UCSF

ZINC43703589

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2010 21 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) 1.13 4.66 -48.32 0 6 -1 71 312.729 3
Mid Mid (pH 6-8) 1.13 6.93 -53.39 1 6 0 72 313.737 3

Activity (Go SEA)

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