UCSF

ZINC08182997

Substance Information

In ZINC since Heavy atoms Benign functionality
July 3rd, 2006 26 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) 2.78 11.13 -20.64 1 6 0 64 368.462 7
Mid Mid (pH 6-8) 3.51 11.58 -51.22 0 6 -1 62 367.454 7

Activity (Go SEA)

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