UCSF

ZINC04297028

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2005 21 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) 4.54 -1.48 -7.68 1 3 0 46 303.427 4
Hi High (pH 8-9.5) 4.54 -0.91 -42.89 0 3 -1 48 302.419 4

Activity (Go SEA)

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