UCSF

ZINC58194903

Substance Information

In ZINC since Heavy atoms Benign functionality
February 2nd, 2011 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) 0.95 8.86 -43.08 2 8 1 75 411.53 5
Hi High (pH 8-9.5) 0.95 6.85 -11.26 1 8 0 74 410.522 5
Mid Mid (pH 6-8) 0.95 9.2 -102.74 3 8 2 76 412.538 5
Lo Low (pH 4.5-6) 0.95 9.52 -156.24 4 8 3 78 413.546 5

Activity (Go SEA)

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