UCSF

ZINC28384365

Substance Information

In ZINC since Heavy atoms Benign functionality
February 26th, 2009 31 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) 3.61 8.19 -15.4 2 9 0 111 555.398 5
Mid Mid (pH 6-8) 3.61 8.48 -36.94 3 9 1 112 556.406 5

Activity (Go SEA)

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