UCSF

ZINC36272023

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 27 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 3.54 9.62 -39.68 3 5 1 51 364.517 4
Hi High (pH 8-9.5) 3.54 7.35 -9.74 2 5 0 50 363.509 4
Mid Mid (pH 6-8) 3.54 9.79 -75.09 4 5 2 52 365.525 4
Mid Mid (pH 6-8) 3.54 9.61 -36.98 3 5 1 51 364.517 4

Activity (Go SEA)

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