UCSF

ZINC13682857

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 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) 2.60 8.13 -75.33 1 8 0 93 458.486 9
Hi High (pH 8-9.5) 2.60 5.59 -58.16 0 8 -1 91 457.478 9
Mid Mid (pH 6-8) 3.04 6.98 -60.08 2 8 1 90 459.494 8
Mid Mid (pH 6-8) 2.01 7.94 -66.13 1 8 1 87 459.494 9

Activity (Go SEA)

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