UCSF

ZINC34628487

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 30 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) -0.02 11.61 -91.45 1 7 0 79 415.465 5
Hi High (pH 8-9.5) -0.02 12.11 -69.22 0 7 -1 78 414.457 5
Lo Low (pH 4.5-6) -0.02 9.6 -56.5 2 7 1 76 416.473 5

Activity (Go SEA)

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