UCSF

ZINC37393064

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 21 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) 2.21 2.23 -41.45 3 6 -1 99 378.178 4
Mid Mid (pH 6-8) 2.21 2.72 -37.98 4 6 0 100 379.186 4

Activity (Go SEA)

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