UCSF

ZINC19990063

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 17 Yes

Other Names:

MFCD11115489

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) 1.41 7.74 -92.1 1 5 0 62 233.271 4
Hi High (pH 8-9.5) 1.41 5.21 -55.99 0 5 -1 61 232.263 4
Lo Low (pH 4.5-6) 1.41 8.18 -127.34 2 5 1 64 234.279 4

Activity (Go SEA)

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