UCSF

ZINC37079257

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 14 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) 1.02 4.6 -48.56 3 3 1 44 192.286 4
Hi High (pH 8-9.5) 1.02 4.21 -4.72 2 3 0 42 191.278 4
Hi High (pH 8-9.5) 1.02 4.64 -25.79 3 3 1 43 192.286 4

Activity (Go SEA)

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