UCSF

ZINC37115512

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 20 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) 4.03 8.71 -56.67 1 3 -1 52 276.262 4
Lo Low (pH 4.5-6) 4.03 6.76 -9.04 2 3 0 49 277.27 4

Activity (Go SEA)

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