UCSF

ZINC36883451

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 13 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) 1.95 5.74 -103.93 4 2 2 32 188.359 8
Hi High (pH 8-9.5) 1.95 5.35 -32.24 3 2 1 30 187.351 8
Mid Mid (pH 6-8) 1.95 3.59 -41.21 3 2 1 31 187.351 8

Activity (Go SEA)

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