UCSF

ZINC15931012

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2008 27 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) 5.48 9.5 -10.5 1 5 0 64 382.485 5
Mid Mid (pH 6-8) 4.99 9.55 -43.24 0 5 -1 63 381.477 6

Activity (Go SEA)

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