UCSF

ZINC36353475

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2009 25 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) 3.42 8.69 -11.81 1 5 0 74 393.244 2
Ref Reference (pH 7) 3.23 11.34 -12.23 1 5 0 71 393.244 2
Lo Low (pH 4.5-6) 3.23 11.8 -48.47 2 5 1 72 394.252 2

Activity (Go SEA)

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