UCSF

ZINC34964340

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 10 No

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) 0.61 0.55 -7.27 1 3 0 42 158.226 2
Mid Mid (pH 6-8) 1.34 -0.11 -39.99 0 3 -1 39 157.218 2

Activity (Go SEA)

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