UCSF

ZINC37665558

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2009 35 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) 8.48 17.51 -26.08 2 5 1 57 491.055 8
Mid Mid (pH 6-8) 8.48 18.14 -17.11 1 5 0 56 490.047 8
Mid Mid (pH 6-8) 8.48 18.05 -37.24 2 5 1 60 491.055 8
Lo Low (pH 4.5-6) 8.48 17.96 -84.66 3 5 2 61 492.063 8

Activity (Go SEA)

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