UCSF

ZINC13725022

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 24 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) 5.62 8.34 -11.2 1 4 0 58 351.456 2
Ref Reference (pH 7) 4.70 9.15 -14.23 1 4 0 55 351.456 3
Hi High (pH 8-9.5) 4.76 7.43 -50.53 0 4 -1 61 350.448 3

Activity (Go SEA)

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