UCSF

ZINC37051947

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 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) -0.20 5.19 -45.8 2 5 1 61 238.311 5
Hi High (pH 8-9.5) -0.20 3.8 -10.9 1 5 0 56 237.303 5
Lo Low (pH 4.5-6) -0.20 5.35 -106.08 3 5 2 62 239.319 5

Activity (Go SEA)

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