UCSF

ZINC36790313

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 19 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) 3.29 6.79 -118.82 4 3 2 41 331.298 7
Hi High (pH 8-9.5) 3.29 6.85 -27.64 3 3 1 40 330.29 7
Mid Mid (pH 6-8) 3.29 5.24 -43.15 3 3 1 40 330.29 7

Activity (Go SEA)

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