UCSF

ZINC08919476

Substance Information

In ZINC since Heavy atoms Benign functionality
August 1st, 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) 4.52 10.82 -59.63 0 7 -1 96 459.503 6
Mid Mid (pH 6-8) 3.94 0.11 -12.07 0 7 0 89 460.511 6
Lo Low (pH 4.5-6) 4.52 10 -15.38 1 7 0 93 460.511 6

Activity (Go SEA)

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