UCSF

ZINC21813852

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 19 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) 0.69 -1.2 -17.93 4 7 0 110 282.325 3
Mid Mid (pH 6-8) 0.69 -1.09 -41.08 5 7 1 111 283.333 3
Mid Mid (pH 6-8) 0.69 -1.15 -47.52 3 7 -1 112 281.317 3

Activity (Go SEA)

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