UCSF

ZINC20523632

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2008 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) 1.93 6.27 -39.62 2 4 0 66 208.261 4
Mid Mid (pH 6-8) 1.93 5.59 -47.17 1 4 -1 65 207.253 4

Activity (Go SEA)

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