UCSF

ZINC02140893

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2004 25 Yes

Other Names:

MFCD05814733

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) 2.68 -4.71 -17.84 2 6 0 84 362.451 7
Hi High (pH 8-9.5) 2.68 -4.15 -53.25 1 6 -1 86 361.443 7

Activity (Go SEA)

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