UCSF

ZINC70616809

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2011 15 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) 0.08 0.67 -45.58 2 4 1 38 215.317 5
Hi High (pH 8-9.5) 0.08 -0.69 -3.86 1 4 0 34 214.309 5
Lo Low (pH 4.5-6) 0.08 2.93 -123.45 3 4 2 40 216.325 5

Activity (Go SEA)

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