UCSF

ZINC02378607

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2004 18 Yes

Other Names:

MFCD01320017

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) 4.08 10.21 -47.57 0 3 -1 57 312.183 8
Lo Low (pH 4.5-6) 4.08 8.23 -10.03 1 3 0 54 313.191 8

Activity (Go SEA)

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