UCSF

ZINC41162090

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2010 17 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) 0.16 2.81 -48.75 3 5 1 66 251.335 2
Hi High (pH 8-9.5) 0.16 2.43 -8.42 2 5 0 64 250.327 2
Lo Low (pH 4.5-6) 0.16 3.27 -85.17 4 5 2 67 252.343 2

Activity (Go SEA)

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