UCSF

ZINC14990895

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2008 29 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) 3.93 10.93 -56.18 3 4 1 53 390.551 6
Hi High (pH 8-9.5) 3.93 9.02 -8 2 4 0 48 389.543 6
Mid Mid (pH 6-8) 3.93 11.37 -111.04 4 4 2 54 391.559 6

Activity (Go SEA)

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