UCSF

ZINC12042019

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2008 34 No

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) 6.25 16.02 -27.95 0 6 0 59 440.51 5
Mid Mid (pH 6-8) 6.25 2.47 -34.5 1 6 1 61 441.518 5
Mid Mid (pH 6-8) 6.25 2.68 -66.59 2 6 2 62 442.526 5

Activity (Go SEA)

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