UCSF

ZINC22887058

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2008 28 Yes

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) 3.04 8.37 -36.54 2 5 1 49 382.528 7
Hi High (pH 8-9.5) 3.04 7.23 -7.8 1 5 0 45 381.52 7
Mid Mid (pH 6-8) 3.04 9.56 -45.92 2 5 1 46 382.528 7
Lo Low (pH 4.5-6) 3.04 10.47 -97.3 3 5 2 51 383.536 7

Activity (Go SEA)

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