UCSF

ZINC16729638

Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2008 35 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) 5.99 15.2 -60.93 0 5 -1 70 468.573 8
Mid Mid (pH 6-8) 6.43 13.1 -27.24 1 5 0 67 469.581 7
Mid Mid (pH 6-8) 5.40 14.44 -20.15 0 5 0 64 469.581 8

Activity (Go SEA)

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