UCSF

ZINC16805771

Substance Information

In ZINC since Heavy atoms Benign functionality
September 8th, 2008 36 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) 4.79 11.52 -46.29 0 7 -1 88 484.528 11
Mid Mid (pH 6-8) 5.24 10.17 -30.02 1 7 0 85 485.536 10
Mid Mid (pH 6-8) 4.21 11.16 -23.19 0 7 0 82 485.536 11

Activity (Go SEA)

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