UCSF

ZINC13734261

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 29 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) 3.58 8.22 -14.95 1 6 0 59 392.503 5
Mid Mid (pH 6-8) 3.58 8.66 -34.46 2 6 1 61 393.511 5
Lo Low (pH 4.5-6) 3.58 10.89 -119.58 3 6 2 62 394.519 5

Activity (Go SEA)

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