UCSF

ZINC34944304

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 32 No

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) 3.53 9.23 -62.38 0 6 -1 73 433.528 6
Mid Mid (pH 6-8) 3.53 11.5 -70.46 1 6 0 74 434.536 6
Lo Low (pH 4.5-6) 3.53 10.61 -46.08 2 6 1 71 435.544 6

Activity (Go SEA)

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