UCSF

ZINC23694671

Substance Information

In ZINC since Heavy atoms Benign functionality
January 6th, 2009 26 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) 2.23 7.84 -51.36 1 7 0 93 355.394 7
Hi High (pH 8-9.5) 2.23 5.42 -49.87 0 7 -1 92 354.386 7
Mid Mid (pH 6-8) 1.77 6.3 -24.71 1 7 0 88 355.394 7

Activity (Go SEA)

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