UCSF

ZINC34995315

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 21 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) 4.37 10.2 -34.16 2 2 1 16 303.495 9
Mid Mid (pH 6-8) 4.37 11.55 -106.75 3 2 2 21 304.503 9
Mid Mid (pH 6-8) 4.37 9.4 -42.67 2 2 1 20 303.495 9

Activity (Go SEA)

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