UCSF

ZINC34943760

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 32 No

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) 3.76 7.55 -46.49 1 7 -1 99 503.369 8
Hi High (pH 8-9.5) 3.76 8.47 -104.6 0 7 -2 102 502.361 8
Lo Low (pH 4.5-6) 3.76 6.81 -12.89 2 7 0 96 504.377 8

Activity (Go SEA)

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