UCSF

ZINC25449671

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 30 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) 4.21 7.92 -24.48 2 7 0 101 436.518 6
Hi High (pH 8-9.5) 4.27 7.08 -107.12 0 7 -2 109 434.502 6
Mid Mid (pH 6-8) 4.21 7.99 -58.26 1 7 -1 103 435.51 6
Mid Mid (pH 6-8) 4.27 7.01 -50.81 1 7 -1 107 435.51 6

Activity (Go SEA)

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