UCSF

ZINC17781069

Substance Information

In ZINC since Heavy atoms Benign functionality
September 25th, 2008 31 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) 4.23 10.26 -58.64 0 6 -1 79 422.501 10
Mid Mid (pH 6-8) 4.23 9.77 -12.09 1 6 0 76 423.509 10
Mid Mid (pH 6-8) 3.65 10.13 -12.78 0 6 0 73 423.509 10

Activity (Go SEA)

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