UCSF

ZINC19209019

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2008 28 No

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) 3.02 10.56 -70.36 1 5 0 65 382.435 6
Hi High (pH 8-9.5) 3.02 8.02 -55.12 0 5 -1 64 381.427 6
Lo Low (pH 4.5-6) 3.02 9.74 -51.75 2 5 1 62 383.443 6

Activity (Go SEA)

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