UCSF

ZINC33996365

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2009 23 Yes

Other Names:

MFCD12973614

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) 4.49 11.57 -42.36 1 3 1 31 312.433 8
Hi High (pH 8-9.5) 4.49 9.04 -7.97 0 3 0 30 311.425 8

Activity (Go SEA)

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