UCSF

ZINC36769726

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 20 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) 2.98 4.8 -1.24 2 3 0 38 282.472 4
Mid Mid (pH 6-8) 2.99 7.02 -126.07 4 3 2 41 284.488 4
Lo Low (pH 4.5-6) 2.98 6.76 -33.5 3 3 1 40 283.48 4

Activity (Go SEA)

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