UCSF

ZINC34985375

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 36 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) 3.85 10.65 -95.97 4 7 2 86 500.68 10
Hi High (pH 8-9.5) 3.85 9.94 -43.06 3 7 1 81 499.672 10
Hi High (pH 8-9.5) 3.85 7.83 -8.51 2 7 0 80 498.664 10
Mid Mid (pH 6-8) 3.85 8.53 -42.9 3 7 1 85 499.672 10

Activity (Go SEA)

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