UCSF

ZINC23089574

Substance Information

In ZINC since Heavy atoms Benign functionality
December 25th, 2008 30 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) 0.88 5.68 -18.41 1 7 0 73 406.486 5
Mid Mid (pH 6-8) 0.88 8.14 -55.68 2 7 1 74 407.494 5
Mid Mid (pH 6-8) 0.88 7.92 -50.18 2 7 1 74 407.494 5
Mid Mid (pH 6-8) 0.88 7.93 -51.9 2 7 1 74 407.494 5

Activity (Go SEA)

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