UCSF

ZINC00181753

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 22 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) 2.82 11.87 -10.04 0 6 0 58 298.394 2
Lo Low (pH 4.5-6) 2.82 12.47 -70.65 2 6 2 61 300.41 2
Lo Low (pH 4.5-6) 2.82 12.17 -30.4 1 6 1 59 299.402 2

Activity (Go SEA)

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