UCSF

ZINC13551921

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 32 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) 2.61 9.47 -74.43 1 8 0 100 438.48 9
Hi High (pH 8-9.5) 2.61 6.93 -59.29 0 8 -1 99 437.472 9
Mid Mid (pH 6-8) 3.06 9.27 -52.06 2 8 1 98 439.488 8
Mid Mid (pH 6-8) 2.03 10.13 -53.14 1 8 1 94 439.488 9

Activity (Go SEA)

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