UCSF

ZINC12569647

Substance Information

In ZINC since Heavy atoms Benign functionality
May 18th, 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) 4.19 6.96 -8.82 0 3 0 25 306.409 2
Mid Mid (pH 6-8) 4.19 7.3 -28.57 1 3 1 27 307.417 2
Lo Low (pH 4.5-6) 4.19 9.58 -106.43 2 3 2 28 308.425 2

Activity (Go SEA)

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