UCSF

ZINC00041632

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2005 20 No

Other Names:

MFCD00193139

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) 3.50 8.84 -35.93 0 5 -1 86 266.232 2
Mid Mid (pH 6-8) 2.82 3.83 -15.68 0 5 0 79 267.24 2

Activity (Go SEA)

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