UCSF

ZINC00803916

Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2004 27 Yes

Other Names:

MFCD03075740

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) 3.40 6.19 -14.21 3 5 0 81 382.395 3
Lo Low (pH 4.5-6) 3.40 6.53 -44.04 4 5 1 82 383.403 3

Activity (Go SEA)

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