UCSF

ZINC45665576

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 16 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) 1.99 5.47 -109.14 4 3 2 35 231.428 10
Hi High (pH 8-9.5) 1.99 3.01 -41.55 3 3 1 34 230.42 10
Lo Low (pH 4.5-6) 1.99 7.13 -224.3 5 3 3 37 232.436 10

Activity (Go SEA)

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