UCSF

ZINC34468518

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 18 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) 0.98 2.04 -54.02 4 5 1 83 246.29 4
Hi High (pH 8-9.5) 1.44 -0.25 -49.92 2 5 -1 84 244.274 4
Mid Mid (pH 6-8) 1.44 0.19 -85.58 3 5 0 86 245.282 4

Activity (Go SEA)

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