UCSF

ZINC33770226

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2009 37 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) 1.48 4.2 -50.4 2 10 -1 134 508.551 10
Mid Mid (pH 6-8) 1.48 6.6 -64.61 3 10 0 136 509.559 10
Lo Low (pH 4.5-6) 1.48 5.48 -70.53 4 10 1 133 510.567 10

Activity (Go SEA)

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