UCSF

ZINC36355070

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2009 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) 3.58 8.48 -15.53 1 6 0 69 395.434 5
Ref Reference (pH 7) 3.39 11.61 -13.88 1 6 0 65 395.434 5
Lo Low (pH 4.5-6) 3.39 11.58 -39.16 2 6 1 67 396.442 5

Activity (Go SEA)

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