UCSF

ZINC36902028

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2009 17 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) 3.57 6.06 -51.92 2 3 1 42 289.211 4
Hi High (pH 8-9.5) 3.57 4.94 -7.01 1 3 0 38 288.203 4

Activity (Go SEA)

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