UCSF

ZINC15936296

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2008 21 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) 1.51 4.92 -16.64 1 6 0 71 306.391 4
Mid Mid (pH 6-8) 1.51 4.47 -51.18 0 6 -1 69 305.383 4

Activity (Go SEA)

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