UCSF

ZINC36128058

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 19 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) 2.09 3.5 -50.04 3 3 1 40 267.368 4
Hi High (pH 8-9.5) 2.09 3.09 -4.3 2 3 0 38 266.36 4
Lo Low (pH 4.5-6) 2.09 5.65 -93.66 4 3 2 41 268.376 4

Activity (Go SEA)

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