UCSF

ZINC41677765

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 21 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) 2.39 10.57 -62.3 1 5 0 48 305.451 7
Mid Mid (pH 6-8) 1.66 10.53 -42.2 2 5 1 51 306.459 7

Activity (Go SEA)

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