UCSF

ZINC22702067

Substance Information

In ZINC since Heavy atoms Benign functionality
December 19th, 2008 23 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) 2.70 8.17 -42.47 2 5 1 50 317.457 5
Mid Mid (pH 6-8) 2.70 8.46 -100.01 3 5 2 51 318.465 5
Mid Mid (pH 6-8) 2.70 5.7 -10.78 1 5 0 48 316.449 5
Mid Mid (pH 6-8) 2.70 5.99 -37.48 2 5 1 50 317.457 5

Activity (Go SEA)

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