UCSF

ZINC37080713

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 15 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) 1.75 4.18 -43.7 3 2 1 31 225.743 4
Mid Mid (pH 6-8) 1.75 5.97 -127.27 4 2 2 32 226.751 4

Activity (Go SEA)

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