UCSF

ZINC29964570

Substance Information

In ZINC since Heavy atoms Benign functionality
March 21st, 2009 29 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) 4.41 13.13 -52.21 3 5 1 64 389.523 8
Mid Mid (pH 6-8) 4.41 12.02 -13 2 5 0 59 388.515 8

Activity (Go SEA)

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