UCSF

ZINC00664159

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 31 Yes

Other Names:

MFCD03863371

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) 4.40 2.35 -15.81 1 7 0 101 433.489 8
Lo Low (pH 4.5-6) 4.40 2.53 -44.74 2 7 1 102 434.497 8

Activity (Go SEA)

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