UCSF

ZINC36876583

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 21 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) 4.06 8.75 -36.14 3 3 1 45 284.427 3
Hi High (pH 8-9.5) 4.06 7.72 -7.17 2 3 0 41 283.419 3
Lo Low (pH 4.5-6) 4.06 9.23 -109.02 4 3 2 47 285.435 3

Activity (Go SEA)

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