UCSF

ZINC20413680

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2008 26 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) 2.01 2.59 -12.68 2 6 0 95 348.406 4
Hi High (pH 8-9.5) 2.01 3.35 -49.43 1 6 -1 97 347.398 4
Hi High (pH 8-9.5) 2.01 3.35 -49.92 1 6 -1 97 347.398 4
Lo Low (pH 4.5-6) 2.01 4.53 -54.39 3 6 1 96 349.414 4
Lo Low (pH 4.5-6) 2.01 4.53 -56.39 3 6 1 96 349.414 4

Activity (Go SEA)

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