UCSF

ZINC52812972

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2010 15 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) 0.93 2.28 -24.8 4 4 1 64 208.285 2
Mid Mid (pH 6-8) 0.93 1.86 -7.52 3 4 0 62 207.277 2

Activity (Go SEA)

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