UCSF

ZINC15770880

Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 2008 29 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) 3.62 12.33 -19.75 1 6 0 61 392.434 7
Mid Mid (pH 6-8) 3.62 12.77 -38.88 2 6 1 62 393.442 7

Activity (Go SEA)

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