UCSF

ZINC34994573

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 16 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 4.38 -47.1 3 4 1 55 218.28 5
Hi High (pH 8-9.5) 0.20 2.95 -8.7 2 4 0 50 217.272 5
Mid Mid (pH 6-8) 0.20 4.89 -83.75 4 4 2 56 219.288 5

Activity (Go SEA)

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