UCSF

ZINC37153852

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2009 19 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) 2.16 7.84 -81.93 3 3 2 21 267.461 4
Hi High (pH 8-9.5) 2.16 6.13 -29.21 2 3 1 20 266.453 4
Mid Mid (pH 6-8) 2.16 4.55 -36.56 2 3 1 23 266.453 4
Lo Low (pH 4.5-6) 2.16 8.72 -197.42 4 3 3 25 268.469 4

Activity (Go SEA)

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