UCSF

ZINC37079011

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 10 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) 0.89 4.66 -105.69 3 2 2 21 144.262 3
Hi High (pH 8-9.5) 0.89 2.21 -30.88 2 2 1 20 143.254 3
Mid Mid (pH 6-8) 0.89 3.3 -30.62 2 2 1 16 143.254 3

Activity (Go SEA)

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