UCSF

ZINC35004790

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 36 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) 2.95 8.39 -61.5 0 8 -1 91 491.564 8
Mid Mid (pH 6-8) 2.95 10.65 -79.59 1 8 0 93 492.572 8
Lo Low (pH 4.5-6) 2.95 9.91 -56.05 2 8 1 90 493.58 8

Activity (Go SEA)

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