UCSF

ZINC36996388

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 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) 2.28 8.3 -75.67 3 3 2 21 267.461 3
Lo Low (pH 4.5-6) 2.28 7.03 -96.76 3 3 2 24 267.461 3
Lo Low (pH 4.5-6) 2.28 9.27 -185.39 4 3 3 25 268.469 3

Activity (Go SEA)

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