UCSF

ZINC58169006

Substance Information

In ZINC since Heavy atoms Benign functionality
February 2nd, 2011 22 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) 2.42 3.58 -39.44 4 7 1 103 307.374 4
Mid Mid (pH 6-8) 2.42 1.26 -9.07 3 7 0 101 306.366 4

Activity (Go SEA)

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