UCSF

ZINC08859838

Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 2007 33 No

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) 3.64 10.52 -36.86 0 6 -1 83 445.47 8
Mid Mid (pH 6-8) 4.09 8.98 -30.75 1 6 0 80 446.478 7
Lo Low (pH 4.5-6) 4.09 9.25 -52 2 6 1 81 447.486 7

Activity (Go SEA)

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