UCSF

ZINC37460113

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2009 11 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) -1.05 -1.71 -32.99 5 4 1 74 158.225 1
Mid Mid (pH 6-8) -1.05 -3.83 -50.95 5 4 1 74 158.225 1
Lo Low (pH 4.5-6) -1.05 -1.43 -108.08 6 4 2 75 159.233 1

Activity (Go SEA)

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