UCSF

ZINC13712062

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 29 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) 6.54 13.5 -13.55 1 4 0 50 442.316 3
Ref Reference (pH 7) 6.54 11.93 -15.53 1 4 0 50 442.316 3
Hi High (pH 8-9.5) 6.54 12.7 -41.46 0 4 -1 53 441.308 3
Hi High (pH 8-9.5) 6.54 14.28 -50.36 0 4 -1 53 441.308 3
Mid Mid (pH 6-8) 6.54 12.23 -29.64 2 4 1 51 443.324 3
Mid Mid (pH 6-8) 6.54 13.5 -30.14 2 4 1 51 443.324 3

Activity (Go SEA)

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