UCSF

ZINC44917107

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2010 28 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) 3.20 6.57 -11.02 1 6 0 69 385.37 4
Ref Reference (pH 7) 3.02 9.2 -10.12 1 6 0 65 385.37 4
Lo Low (pH 4.5-6) 3.02 9.66 -39.57 2 6 1 67 386.378 4

Activity (Go SEA)

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