UCSF

ZINC36251583

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 26 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) 2.20 4.82 -10.86 1 6 0 62 365.518 7
Mid Mid (pH 6-8) 2.20 7.33 -45.53 2 6 1 63 366.526 7

Activity (Go SEA)

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