UCSF

ZINC19928745

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 31 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) 3.49 11.03 -71.17 1 6 0 74 420.509 9
Hi High (pH 8-9.5) 3.49 8.49 -58.69 0 6 -1 73 419.501 9
Lo Low (pH 4.5-6) 3.49 10.21 -49.63 2 6 1 71 421.517 9

Activity (Go SEA)

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