UCSF

ZINC34981325

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 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) 1.62 5.71 -45.75 2 5 1 59 267.349 7
Mid Mid (pH 6-8) 1.62 7.49 -125.93 3 5 2 60 268.357 7
Mid Mid (pH 6-8) 1.62 6.23 -35.59 2 5 1 56 267.349 7

Activity (Go SEA)

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