UCSF

ZINC05343432

Substance Information

In ZINC since Heavy atoms Benign functionality
January 30th, 2006 29 Yes

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) 2.97 4.23 -15.06 3 7 0 99 393.443 5
Ref Reference (pH 7) 2.97 4.18 -12.93 3 7 0 99 393.443 5
Hi High (pH 8-9.5) 2.97 5.01 -46.71 2 7 -1 102 392.435 5
Hi High (pH 8-9.5) 2.74 3.96 -60.88 1 7 -1 98 392.435 5
Hi High (pH 8-9.5) 2.74 4.54 -55.53 1 7 -1 98 392.435 5

Activity (Go SEA)

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