UCSF

ZINC37080659

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 16 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) 2.00 4.26 -49.5 3 2 1 31 288.184 4
Mid Mid (pH 6-8) 2.00 6.27 -125.4 4 2 2 32 289.192 4

Activity (Go SEA)

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