UCSF

ZINC36354345

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2009 27 Yes

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) 2.09 4.15 -13.18 2 7 0 89 365.389 4
Ref Reference (pH 7) 1.90 6.82 -12.84 2 7 0 86 365.389 4
Mid Mid (pH 6-8) 1.90 7.28 -45.96 3 7 1 87 366.397 4

Activity (Go SEA)

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