UCSF

ZINC33816947

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 30 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) 5.69 14.98 -8.29 0 2 0 8 416.565 4
Mid Mid (pH 6-8) 5.69 17.11 -38.16 1 2 1 9 417.573 4

Activity (Go SEA)

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