UCSF

ZINC37084144

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 19 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) 2.02 5.21 -135.95 4 4 2 51 264.369 4
Hi High (pH 8-9.5) 2.02 4.83 -36.34 3 4 1 49 263.361 4
Mid Mid (pH 6-8) 2.02 3.43 -47.62 3 4 1 49 263.361 4

Activity (Go SEA)

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