UCSF

ZINC53129705

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 16 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) 0.64 2.58 -47.68 2 5 1 68 219.268 5
Hi High (pH 8-9.5) 0.64 1.2 -7.81 1 5 0 64 218.26 5
Lo Low (pH 4.5-6) 0.64 3.03 -89.67 3 5 2 70 220.276 5

Activity (Go SEA)

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