UCSF

ZINC08974891

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2007 21 Yes

Other Names:

MFCD07637972

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) 1.86 4.8 -12.59 1 5 0 62 301.371 0
Lo Low (pH 4.5-6) 2.04 3.18 -34.29 2 5 1 67 302.379 0
Lo Low (pH 4.5-6) 1.86 5.21 -37.93 2 5 1 64 302.379 0

Activity (Go SEA)

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