UCSF

ZINC21788745

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 14 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) -0.01 2.75 -12.41 3 6 0 93 197.194 4
Mid Mid (pH 6-8) -0.01 2.53 -59.11 4 6 1 95 198.202 4
Mid Mid (pH 6-8) -0.01 3.3 -56.65 4 6 1 98 198.202 4

Activity (Go SEA)

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