UCSF

ZINC33716800

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 2009 34 No

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Annotations

None

Vendors

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) -5.51 -4.71 -156.21 13 17 0 311 490.474 16
Mid Mid (pH 6-8) -5.51 -5.14 -124.65 12 17 -1 309 489.466 16
Lo Low (pH 4.5-6) -5.51 -6.73 -132.8 14 17 1 308 491.482 16

Activity (Go SEA)

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