UCSF

ZINC15920043

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2008 25 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) 1.06 2.2 -63.98 1 7 -1 103 342.327 6
Mid Mid (pH 6-8) 1.51 1.14 -32.04 2 7 0 100 343.335 5
Mid Mid (pH 6-8) 0.48 2.13 -26.08 1 7 0 97 343.335 6

Activity (Go SEA)

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