UCSF

ZINC06513211

Substance Information

In ZINC since Heavy atoms Benign functionality
April 4th, 2006 10 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) 1.23 2.71 -19.93 1 3 0 38 134.138 0
Hi High (pH 8-9.5) 1.23 3.69 -51.78 0 3 -1 41 133.13 0
Lo Low (pH 4.5-6) 1.28 4.19 -30.48 1 3 1 43 135.146 0

Activity (Go SEA)

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